1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine

C19H18ClN — CID 106861532

IUPAC1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine
SMILESCc1ccc(C(N)Cc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C19H18ClN/c1-13-6-9-17(18(20)10-13)19(21)12-14-7-8-15-4-2-3-5-16(15)11-14/h2-11,19H,12,21H2,1H3
InChIKeyHANDTFGFKXKRDN-UHFFFAOYSA-N
MW295.81 g/mol
LogP5.04
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine

1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine (PubChem CID 106861532) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine
PubChem CID106861532
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine
SMILESCc1ccc(C(N)Cc2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C19H18ClN/c1-13-6-9-17(18(20)10-13)19(21)12-14-7-8-15-4-2-3-5-16(15)11-14/h2-11,19H,12,21H2,1H3
InChIKeyHANDTFGFKXKRDN-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

1-(5-chloro-2-methylphenyl)-2-naphthalen-2-ylethanamine
CID 82871275
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 106857196
1-(2,4-dichlorophenyl)-2-(3-methylphenyl)ethanamine
CID 62387674
1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 103402254
(1S)-1-(2-chloro-4-methylphenyl)-3-methylbutan-1-amine
CID 99737671
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106863705
1-(2-bromofuran-3-yl)-2-naphthalen-2-ylethanamine
CID 106854636
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
1-(2-chloro-4,5-difluorophenyl)-2-(3-methylphenyl)ethanamine
CID 107475984
1-(3-methylfuran-2-yl)-2-naphthalen-2-ylethanamine
CID 61077731
1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106857455

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine (CID 106861532) is 1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine is Cc1ccc(C(N)Cc2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine?
The InChIKey is HANDTFGFKXKRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c1-13-6-9-17(18(20)10-13)19(21)12-14-7-8-15-4-2-3-5-16(15)11-14/h2-11,19H,12,21H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine?
1-(2-chloro-4-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-(2-chloro-4-methylphenyl)-2-naphthalen-2-ylethanamine is sourced from PubChem (CID 106861532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).