2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine

C18H21NO — CID 62620534

IUPAC2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1cccc(CC2(N)CCc3ccccc3C2)c1
InChIInChI=1S/C18H21NO/c1-20-17-8-4-5-14(11-17)12-18(19)10-9-15-6-2-3-7-16(15)13-18/h2-8,11H,9-10,12-13,19H2,1H3
InChIKeyCGUBKVWFVZCRCA-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.12
Rot. Bonds3

About 2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine

2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 62620534) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID62620534
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESCOc1cccc(CC2(N)CCc3ccccc3C2)c1
InChIInChI=1S/C18H21NO/c1-20-17-8-4-5-14(11-17)12-18(19)10-9-15-6-2-3-7-16(15)13-18/h2-8,11H,9-10,12-13,19H2,1H3
InChIKeyCGUBKVWFVZCRCA-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147763
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[2-(3-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 67382706
1-[(1-fluorocyclobutyl)methyl]-3-methoxybenzene
CID 84720329
[1-[(3-methoxyphenyl)methyl]cyclooctyl]methanamine
CID 80603141
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-methoxybenzene
CID 66034461
1-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69477572
1-[(3-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 82129111
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
CID 54919051
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 91631285
1-[(3-methoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79862440

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine (CID 62620534) is 2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine is COc1cccc(CC2(N)CCc3ccccc3C2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is CGUBKVWFVZCRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-20-17-8-4-5-14(11-17)12-18(19)10-9-15-6-2-3-7-16(15)13-18/h2-8,11H,9-10,12-13,19H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 267.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 62620534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).