N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine

C24H29NO — CID 54804530

IUPACN-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine
SMILESCCC(C)Oc1ccc2ccccc2c1CNCCCc1ccccc1
InChIInChI=1S/C24H29NO/c1-3-19(2)26-24-16-15-21-13-7-8-14-22(21)23(24)18-25-17-9-12-20-10-5-4-6-11-20/h4-8,10-11,13-16,19,25H,3,9,12,17-18H2,1-2H3
InChIKeyVAQCBOWTJBACLV-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.74
Rot. Bonds9

About N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine

N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine (PubChem CID 54804530) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine
PubChem CID54804530
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC NameN-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine
SMILESCCC(C)Oc1ccc2ccccc2c1CNCCCc1ccccc1
InChIInChI=1S/C24H29NO/c1-3-19(2)26-24-16-15-21-13-7-8-14-22(21)23(24)18-25-17-9-12-20-10-5-4-6-11-20/h4-8,10-11,13-16,19,25H,3,9,12,17-18H2,1-2H3
InChIKeyVAQCBOWTJBACLV-UHFFFAOYSA-N
XLogP5.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]ethanamine
CID 43505535
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-3-phenylpropan-1-amine
CID 54804539
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 54848695
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849945
N,N'-bis[(2-propan-2-yloxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531928
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267
N-[[2-(2-phenylethoxy)naphthalen-1-yl]methyl]ethanamine
CID 54804704
N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531940
N-[(2-ethoxynaphthalen-1-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209000
3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43220682
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
CID 54807559

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine (CID 54804530) is N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine is CCC(C)Oc1ccc2ccccc2c1CNCCCc1ccccc1.
What is the InChIKey of N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine?
The InChIKey is VAQCBOWTJBACLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-3-19(2)26-24-16-15-21-13-7-8-14-22(21)23(24)18-25-17-9-12-20-10-5-4-6-11-20/h4-8,10-11,13-16,19,25H,3,9,12,17-18H2,1-2H3.
What are the key properties of N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine?
N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine has a molecular weight of 347.50 g/mol, XLogP of 5.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxynaphthalen-1-yl)methyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 54804530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).