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

C19H23NO — CID 81367851

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc([C@H](C)NC2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H23NO/c1-14(15-8-11-19(21-2)12-9-15)20-18-10-7-16-5-3-4-6-17(16)13-18/h3-6,8-9,11-12,14,18,20H,7,10,13H2,1-2H3/t14-,18?/m0/s1
InChIKeyBSDZHVOUSAUQJK-PIVQAISJSA-N
MW281.40 g/mol
LogP3.90
Rot. Bonds4

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

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 81367851) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID81367851
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc([C@H](C)NC2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H23NO/c1-14(15-8-11-19(21-2)12-9-15)20-18-10-7-16-5-3-4-6-17(16)13-18/h3-6,8-9,11-12,14,18,20H,7,10,13H2,1-2H3/t14-,18?/m0/s1
InChIKeyBSDZHVOUSAUQJK-PIVQAISJSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81351587
N-[(1S)-1-(4-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81353163
7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510289
5-methoxy-N-(1-phenylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 73455275
7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103905252
N-[1-(3-bromophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43426726
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223105
7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 54863084

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 81367851) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc([C@H](C)NC2CCc3ccccc3C2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is BSDZHVOUSAUQJK-PIVQAISJSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(15-8-11-19(21-2)12-9-15)20-18-10-7-16-5-3-4-6-17(16)13-18/h3-6,8-9,11-12,14,18,20H,7,10,13H2,1-2H3/t14-,18?/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 81367851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).