1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine

C19H23NO — CID 62160328

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc(C)cc1CC1(N)CCCc2ccccc21
InChIInChI=1S/C19H23NO/c1-14-9-10-18(21-2)16(12-14)13-19(20)11-5-7-15-6-3-4-8-17(15)19/h3-4,6,8-10,12H,5,7,11,13,20H2,1-2H3
InChIKeyQPWPUSNLFKGMLZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.74
Rot. Bonds3

About 1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine

1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 62160328) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID62160328
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc(C)cc1CC1(N)CCCc2ccccc21
InChIInChI=1S/C19H23NO/c1-14-9-10-18(21-2)16(12-14)13-19(20)11-5-7-15-6-3-4-8-17(15)19/h3-4,6,8-10,12H,5,7,11,13,20H2,1-2H3
InChIKeyQPWPUSNLFKGMLZ-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 62620308
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
7-methoxy-1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 79233838
1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233836
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
1-[(2-methoxy-5-methylphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65084029
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 65376622
5-[(5-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 103047824
1-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 60797953
5-[(4-chloro-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 114853405
(1-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 83907370

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine (CID 62160328) is 1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine is COc1ccc(C)cc1CC1(N)CCCc2ccccc21.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is QPWPUSNLFKGMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-9-10-18(21-2)16(12-14)13-19(20)11-5-7-15-6-3-4-8-17(15)19/h3-4,6,8-10,12H,5,7,11,13,20H2,1-2H3.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine?
1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 62160328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).