2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine

C17H18ClN — CID 107559760

IUPAC2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCc1ccc(C2(N)CCc3ccccc3C2)cc1Cl
InChIInChI=1S/C17H18ClN/c1-12-6-7-15(10-16(12)18)17(19)9-8-13-4-2-3-5-14(13)11-17/h2-7,10H,8-9,11,19H2,1H3
InChIKeyZNFSDTDPHFTPAK-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.99
Rot. Bonds1

About 2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine

2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 107559760) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID107559760
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCc1ccc(C2(N)CCc3ccccc3C2)cc1Cl
InChIInChI=1S/C17H18ClN/c1-12-6-7-15(10-16(12)18)17(19)9-8-13-4-2-3-5-14(13)11-17/h2-7,10H,8-9,11,19H2,1H3
InChIKeyZNFSDTDPHFTPAK-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine (CID 107559760) is 2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine is Cc1ccc(C2(N)CCc3ccccc3C2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is ZNFSDTDPHFTPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-12-6-7-15(10-16(12)18)17(19)9-8-13-4-2-3-5-14(13)11-17/h2-7,10H,8-9,11,19H2,1H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine?
2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 271.79 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 107559760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).