N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine

C18H16ClN — CID 106816010

IUPACN-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine
SMILESCc1ccc(CNc2cccc3ccccc23)cc1Cl
InChIInChI=1S/C18H16ClN/c1-13-9-10-14(11-17(13)19)12-20-18-8-4-6-15-5-2-3-7-16(15)18/h2-11,20H,12H2,1H3
InChIKeyUSEFDQLBKXJCEL-UHFFFAOYSA-N
MW281.79 g/mol
LogP5.41
Rot. Bonds3

About N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine

N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine (PubChem CID 106816010) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine
PubChem CID106816010
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine
SMILESCc1ccc(CNc2cccc3ccccc23)cc1Cl
InChIInChI=1S/C18H16ClN/c1-13-9-10-14(11-17(13)19)12-20-18-8-4-6-15-5-2-3-7-16(15)18/h2-11,20H,12H2,1H3
InChIKeyUSEFDQLBKXJCEL-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.79
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]naphthalen-1-amine
CID 81144303
4-N-[(3-chloro-4-methylphenyl)methyl]-8-N-ethyl-2-methylquinoline-4,8-diamine
CID 70849512
N-[(3-methylphenyl)methyl]naphthalen-1-amine
CID 23820233
N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 106816557
2,6-dibromo-N-[(3-chloro-4-methylphenyl)methyl]aniline
CID 107597207
2-chloro-N-[(3-chloro-4-methylphenyl)methyl]-5-iodoaniline
CID 114258452
2-[2-[(3-chloro-4-methylphenyl)methylamino]phenyl]sulfanylacetamide
CID 106816431
N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine
CID 106816379
N-[(3-chloro-4-methylphenyl)methyl]-2,4,6-trimethylaniline
CID 106816595
N-[(3-chloro-4-methylphenyl)methyl]-4-methylaniline
CID 106816096
5-chloro-N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxyaniline
CID 106816634
N-[(3-chloro-4-methylphenyl)methyl]-2-methylpropan-2-amine
CID 63195230

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine (CID 106816010) is N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine is Cc1ccc(CNc2cccc3ccccc23)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine?
The InChIKey is USEFDQLBKXJCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN/c1-13-9-10-14(11-17(13)19)12-20-18-8-4-6-15-5-2-3-7-16(15)18/h2-11,20H,12H2,1H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine?
N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine has a molecular weight of 281.79 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]naphthalen-1-amine is sourced from PubChem (CID 106816010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).