4-benzylnaphthalene-1,8-diamine

C17H16N2 — CID 19896349

IUPAC4-benzylnaphthalene-1,8-diamine
SMILESNc1cccc2c(Cc3ccccc3)ccc(N)c12
InChIInChI=1S/C17H16N2/c18-15-8-4-7-14-13(9-10-16(19)17(14)15)11-12-5-2-1-3-6-12/h1-10H,11,18-19H2
InChIKeyLLPWSURDGCEMCP-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.60
Rot. Bonds2

About 4-benzylnaphthalene-1,8-diamine

4-benzylnaphthalene-1,8-diamine (PubChem CID 19896349) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-benzylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name4-benzylnaphthalene-1,8-diamine
PubChem CID19896349
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name4-benzylnaphthalene-1,8-diamine
SMILESNc1cccc2c(Cc3ccccc3)ccc(N)c12
InChIInChI=1S/C17H16N2/c18-15-8-4-7-14-13(9-10-16(19)17(14)15)11-12-5-2-1-3-6-12/h1-10H,11,18-19H2
InChIKeyLLPWSURDGCEMCP-UHFFFAOYSA-N
XLogP3.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzylnaphthalene;N-methylmethanamine
CID 70612820
2-(2-aminophenyl)-3-benzylaniline
CID 139509326
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
[5-(4-benzylnaphthalen-1-yl)furan-2-yl]methanol
CID 21107037
6-benzylquinolin-5-amine
CID 15441702
triphenylen-1-amine
CID 11139339
3,8,15-tribenzyloctacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaene
CID 58068188
1-benzyl-6-methylpyrene
CID 143438627
naphthalen-1-amine;phenylmethanamine
CID 23298608
acetic acid;2-benzylaniline
CID 174872932
2-(4-benzylnaphthalen-1-yl)acetonitrile
CID 11054322
4-benzyl-1H-indol-2-amine
CID 174370998

Frequently Asked Questions

What is the IUPAC name of 4-benzylnaphthalene-1,8-diamine?
The IUPAC name of 4-benzylnaphthalene-1,8-diamine (CID 19896349) is 4-benzylnaphthalene-1,8-diamine.
What is the SMILES notation for 4-benzylnaphthalene-1,8-diamine?
The canonical SMILES for 4-benzylnaphthalene-1,8-diamine is Nc1cccc2c(Cc3ccccc3)ccc(N)c12.
What is the InChIKey of 4-benzylnaphthalene-1,8-diamine?
The InChIKey is LLPWSURDGCEMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c18-15-8-4-7-14-13(9-10-16(19)17(14)15)11-12-5-2-1-3-6-12/h1-10H,11,18-19H2.
What are the key properties of 4-benzylnaphthalene-1,8-diamine?
4-benzylnaphthalene-1,8-diamine has a molecular weight of 248.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylnaphthalene-1,8-diamine is sourced from PubChem (CID 19896349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).