N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C18H21NO — CID 64974310

IUPACN-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESc1ccc(CONCC2CCCc3ccccc32)cc1
InChIInChI=1S/C18H21NO/c1-2-7-15(8-3-1)14-20-19-13-17-11-6-10-16-9-4-5-12-18(16)17/h1-5,7-9,12,17,19H,6,10-11,13-14H2
InChIKeySMKCCHAKQJLHNQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.83
Rot. Bonds5

About N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 64974310) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound NameN-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID64974310
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESc1ccc(CONCC2CCCc3ccccc32)cc1
InChIInChI=1S/C18H21NO/c1-2-7-15(8-3-1)14-20-19-13-17-11-6-10-16-9-4-5-12-18(16)17/h1-5,7-9,12,17,19H,6,10-11,13-14H2
InChIKeySMKCCHAKQJLHNQ-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.83
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

3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63771754
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
N-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 82710227
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethanamine
CID 114505328
1-(4-chlorocyclohexyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)methanamine
CID 106123359
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)prop-2-yn-1-amine
CID 63770878
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63772601
[1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl]hydrazine
CID 105195209
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)aniline
CID 55242662

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 64974310) is N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is c1ccc(CONCC2CCCc3ccccc32)cc1.
What is the InChIKey of N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is SMKCCHAKQJLHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-7-15(8-3-1)14-20-19-13-17-11-6-10-16-9-4-5-12-18(16)17/h1-5,7-9,12,17,19H,6,10-11,13-14H2.
What are the key properties of N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 267.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 64974310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).