(1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine

C24H30N2O — CID 140998248

IUPAC(1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine
SMILESCCC1(CC)CC(CN)Cc2c1[nH]c1ccc(OCc3ccccc3)cc21
InChIInChI=1S/C24H30N2O/c1-3-24(4-2)14-18(15-25)12-21-20-13-19(10-11-22(20)26-23(21)24)27-16-17-8-6-5-7-9-17/h5-11,13,18,26H,3-4,12,14-16,25H2,1-2H3
InChIKeyNYYLVJISMDJYGX-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.33
Rot. Bonds6

About (1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine

(1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine (PubChem CID 140998248) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is (1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine.

Molecular Properties

Compound Name(1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine
PubChem CID140998248
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name(1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine
SMILESCCC1(CC)CC(CN)Cc2c1[nH]c1ccc(OCc3ccccc3)cc21
InChIInChI=1S/C24H30N2O/c1-3-24(4-2)14-18(15-25)12-21-20-13-19(10-11-22(20)26-23(21)24)27-16-17-8-6-5-7-9-17/h5-11,13,18,26H,3-4,12,14-16,25H2,1-2H3
InChIKeyNYYLVJISMDJYGX-UHFFFAOYSA-N
XLogP5.33
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 22018514
6,16,26-tris(phenylmethoxy)-10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4(9),5,7,13(21),14(19),15,17,24(29),25,27-dodecaene
CID 101011137
6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 67637954
2-phenylmethoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 40628715
1-(3,5-dimethylphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3282736
ethyl 3-iodo-5-phenylmethoxy-1H-indole-2-carboxylate
CID 25147379
13-phenylmethoxy-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 130238466
cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 90212958
6-phenylmethoxy-1-(5-phenylmethoxy-1H-indol-3-yl)-2,3,4,9-tetrahydro-1H-carbazole
CID 20779585
2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
CID 19935715
1-(2,6-dichlorophenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5038370
1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one
CID 143156217

Frequently Asked Questions

What is the IUPAC name of (1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine?
The IUPAC name of (1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine (CID 140998248) is (1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine.
What is the SMILES notation for (1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine?
The canonical SMILES for (1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine is CCC1(CC)CC(CN)Cc2c1[nH]c1ccc(OCc3ccccc3)cc21.
What is the InChIKey of (1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine?
The InChIKey is NYYLVJISMDJYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-3-24(4-2)14-18(15-25)12-21-20-13-19(10-11-22(20)26-23(21)24)27-16-17-8-6-5-7-9-17/h5-11,13,18,26H,3-4,12,14-16,25H2,1-2H3.
What are the key properties of (1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine?
(1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine has a molecular weight of 362.52 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine is sourced from PubChem (CID 140998248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).