1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine

C19H18ClN — CID 82871275

IUPAC1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine
SMILESCc1ccc(Cl)cc1C(N)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H18ClN/c1-13-6-9-17(20)12-18(13)19(21)11-14-7-8-15-4-2-3-5-16(15)10-14/h2-10,12,19H,11,21H2,1H3
InChIKeyRXLOEDBIYJDUKJ-UHFFFAOYSA-N
MW295.81 g/mol
LogP5.04
Rot. Bonds3

About 1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine

1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine (PubChem CID 82871275) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine
PubChem CID82871275
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine
SMILESCc1ccc(Cl)cc1C(N)Cc1ccc2ccccc2c1
InChIInChI=1S/C19H18ClN/c1-13-6-9-17(20)12-18(13)19(21)11-14-7-8-15-4-2-3-5-16(15)10-14/h2-10,12,19H,11,21H2,1H3
InChIKeyRXLOEDBIYJDUKJ-UHFFFAOYSA-N
XLogP5.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.81
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine
CID 106861532
1-(5-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105024568
1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 103402254
1-(5-chloro-2-methylphenyl)-2-thiophen-3-ylethanamine
CID 82883386
1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-amine
CID 115849493
1-(3-methylfuran-2-yl)-2-naphthalen-2-ylethanamine
CID 61077731
1-(5-chloro-2-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019329
1-(5-chloro-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014621
1-(5-chloro-2-methylphenyl)-2-(4-ethylphenyl)ethanol
CID 114980972
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine (CID 82871275) is 1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine is Cc1ccc(Cl)cc1C(N)Cc1ccc2ccccc2c1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine?
The InChIKey is RXLOEDBIYJDUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c1-13-6-9-17(20)12-18(13)19(21)11-14-7-8-15-4-2-3-5-16(15)10-14/h2-10,12,19H,11,21H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine?
1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine has a molecular weight of 295.81 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine is sourced from PubChem (CID 82871275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).