N-Benzoxy-1-naphthalenemethanamine

C18H17NO — CID 53308547

IUPAC1-naphthalen-1-yl-N-phenylmethoxymethanamine
SMILESC1=CC=C(C=C1)CONCC2=CC=CC3=CC=CC=C32
InChIInChI=1S/C18H17NO/c1-2-7-15(8-3-1)14-20-19-13-17-11-6-10-16-9-4-5-12-18(16)17/h1-12,19H,13-14H2
InChIKeyPKCHTIGNHUWKKE-UHFFFAOYSA-N
MW263.30 g/mol
LogP4.10
Rot. Bonds5

About N-Benzoxy-1-naphthalenemethanamine

N-Benzoxy-1-naphthalenemethanamine (PubChem CID 53308547) has the molecular formula C18H17NO and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-phenylmethoxymethanamine.

Molecular Properties

Compound NameN-Benzoxy-1-naphthalenemethanamine
PubChem CID53308547
Molecular FormulaC18H17NO
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-naphthalen-1-yl-N-phenylmethoxymethanamine
SMILESC1=CC=C(C=C1)CONCC2=CC=CC3=CC=CC=C32
InChIInChI=1S/C18H17NO/c1-2-7-15(8-3-1)14-20-19-13-17-11-6-10-16-9-4-5-12-18(16)17/h1-12,19H,13-14H2
InChIKeyPKCHTIGNHUWKKE-UHFFFAOYSA-N
XLogP4.10
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity275

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Benzoxybenzhydrylamine
CID 15025165
N-Benzoxy-2-naphthalenemethanamine
CID 53308533
2-Amino-2-(4-fluorophenyl)-1-naphthalen-1-ylethanol
CID 67523990
1-phenyl-N-[(1S)-1-phenylprop-2-enoxy]methanamine
CID 12167132
N-benzhydryloxy-1-phenylmethanamine
CID 15517256
(1S)-N-[(1S)-1,3-diphenylpropoxy]-1-phenylpentan-1-amine
CID 53469515
2-phenyl-N-phenylmethoxyprop-2-en-1-amine
CID 101568326
2-Propen-1-amine, N-(2-naphthalenylmethoxy)-
CID 122377805
1-(3-methylphenyl)-N-[(3-methylphenyl)methoxy]methanamine
CID 125466595
1-(9-Anthrylmethoxy) pyridine
CID 132278290
(E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine
CID 134870614
(E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine
CID 134883555

Frequently Asked Questions

What is the IUPAC name of N-Benzoxy-1-naphthalenemethanamine?
The IUPAC name of N-Benzoxy-1-naphthalenemethanamine (CID 53308547) is 1-naphthalen-1-yl-N-phenylmethoxymethanamine.
What is the SMILES notation for N-Benzoxy-1-naphthalenemethanamine?
The canonical SMILES for N-Benzoxy-1-naphthalenemethanamine is C1=CC=C(C=C1)CONCC2=CC=CC3=CC=CC=C32.
What is the InChIKey of N-Benzoxy-1-naphthalenemethanamine?
The InChIKey is PKCHTIGNHUWKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-7-15(8-3-1)14-20-19-13-17-11-6-10-16-9-4-5-12-18(16)17/h1-12,19H,13-14H2.
What are the key properties of N-Benzoxy-1-naphthalenemethanamine?
N-Benzoxy-1-naphthalenemethanamine has a molecular weight of 263.30 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-Benzoxy-1-naphthalenemethanamine is sourced from PubChem (CID 53308547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).