N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C19H23NO — CID 5195618

IUPACN-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc(CCNC2CCc3ccccc3C2)c1
InChIInChI=1S/C19H23NO/c1-21-19-8-4-5-15(13-19)11-12-20-18-10-9-16-6-2-3-7-17(16)14-18/h2-8,13,18,20H,9-12,14H2,1H3
InChIKeyKXCWAVCUPICGCM-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 5195618) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID5195618
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1cccc(CCNC2CCc3ccccc3C2)c1
InChIInChI=1S/C19H23NO/c1-21-19-8-4-5-15(13-19)11-12-20-18-10-9-16-6-2-3-7-17(16)14-18/h2-8,13,18,20H,9-12,14H2,1H3
InChIKeyKXCWAVCUPICGCM-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(3,5-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 30983162
N-[2-(3-methoxyphenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103777702
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine
CID 103920471
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
N-[2-(3-methoxyphenyl)ethyl]-2-propan-2-yloxan-4-amine
CID 103930663
7-methoxy-N-(2-pyridin-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510244
N'-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 115510402
N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine
CID 107850113
5-methoxy-N-(3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 24880718

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 5195618) is N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is COc1cccc(CCNC2CCc3ccccc3C2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is KXCWAVCUPICGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-21-19-8-4-5-15(13-19)11-12-20-18-10-9-16-6-2-3-7-17(16)14-18/h2-8,13,18,20H,9-12,14H2,1H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 5195618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).