1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine

C27H30NP — CID 143761286

IUPAC1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine
SMILESCc1ccc2ccccc2c1-c1c(CP(C)CC(C)N)ccc2c1C=CCC=C2
InChIInChI=1S/C27H30NP/c1-19-13-14-21-10-7-8-12-24(21)26(19)27-23(18-29(3)17-20(2)28)16-15-22-9-5-4-6-11-25(22)27/h5-16,20H,4,17-18,28H2,1-3H3
InChIKeyZXUYQNBEYZPBOX-UHFFFAOYSA-N
MW399.52 g/mol
LogP7.20
Rot. Bonds5

About 1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine

1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine (PubChem CID 143761286) has the molecular formula C27H30NP and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine.

Molecular Properties

Compound Name1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine
PubChem CID143761286
Molecular FormulaC27H30NP
Molecular Weight399.52 g/mol
Exact Mass399.21
IUPAC Name1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine
SMILESCc1ccc2ccccc2c1-c1c(CP(C)CC(C)N)ccc2c1C=CCC=C2
InChIInChI=1S/C27H30NP/c1-19-13-14-21-10-7-8-12-24(21)26(19)27-23(18-29(3)17-20(2)28)16-15-22-9-5-4-6-11-25(22)27/h5-16,20H,4,17-18,28H2,1-3H3
InChIKeyZXUYQNBEYZPBOX-UHFFFAOYSA-N
XLogP7.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
2-[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]ethanamine
CID 101269623
1-(1H-inden-4-yl)-2-methylnaphthalene
CID 57037744
1-(2-methylnaphthalen-1-yl)-2-phenylnaphthalene
CID 11739441
[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane
CID 20820573
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
2-ethyl-4-(2-methylnaphthalen-1-yl)aniline
CID 81432895
ethane;4-fluoro-3-methyl-7H-benzo[7]annulene
CID 143029285
14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.9.0.02,11.03,8.020,26]hexacosa-1(17),2(11),3,5,7,9,18,20(26),21,24-decaene
CID 123556849
3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
CID 174680926
12-(3-tert-butyl-8,9-dihydro-7H-benzo[7]annulen-7-yl)-12-(6-tert-butylnaphthalen-2-yl)pentacyclo[11.9.0.02,11.03,8.016,22]docosa-1(13),2(11),3,5,7,9,14,16(22),17,20-decaene
CID 142579162

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine?
The IUPAC name of 1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine (CID 143761286) is 1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine.
What is the SMILES notation for 1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine?
The canonical SMILES for 1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine is Cc1ccc2ccccc2c1-c1c(CP(C)CC(C)N)ccc2c1C=CCC=C2.
What is the InChIKey of 1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine?
The InChIKey is ZXUYQNBEYZPBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30NP/c1-19-13-14-21-10-7-8-12-24(21)26(19)27-23(18-29(3)17-20(2)28)16-15-22-9-5-4-6-11-25(22)27/h5-16,20H,4,17-18,28H2,1-3H3.
What are the key properties of 1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine?
1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine has a molecular weight of 399.52 g/mol, XLogP of 7.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[[4-(2-methylnaphthalen-1-yl)-7H-benzo[7]annulen-3-yl]methyl]phosphanyl]propan-2-amine is sourced from PubChem (CID 143761286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).