N-[(4-chlorophenyl)methyl]naphthalen-2-amine

C17H14ClN — CID 13418586

IUPACN-[(4-chlorophenyl)methyl]naphthalen-2-amine
SMILESClc1ccc(CNc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H14ClN/c18-16-8-5-13(6-9-16)12-19-17-10-7-14-3-1-2-4-15(14)11-17/h1-11,19H,12H2
InChIKeyZMSZYHZCQOBREO-UHFFFAOYSA-N
MW267.76 g/mol
LogP5.11
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]naphthalen-2-amine

N-[(4-chlorophenyl)methyl]naphthalen-2-amine (PubChem CID 13418586) has the molecular formula C17H14ClN and a molecular weight of 267.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]naphthalen-2-amine
PubChem CID13418586
Molecular FormulaC17H14ClN
Molecular Weight267.76 g/mol
Exact Mass267.08
IUPAC NameN-[(4-chlorophenyl)methyl]naphthalen-2-amine
SMILESClc1ccc(CNc2ccc3ccccc3c2)cc1
InChIInChI=1S/C17H14ClN/c18-16-8-5-13(6-9-16)12-19-17-10-7-14-3-1-2-4-15(14)11-17/h1-11,19H,12H2
InChIKeyZMSZYHZCQOBREO-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.76
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
N-[(3-bromo-4-fluorophenyl)methyl]naphthalen-2-amine
CID 43533079
3-bromo-4-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 104775821
N-benzyl-4-chloroaniline chloride
CID 45109713
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]naphthalen-2-amine
CID 91674310
N-[[3-(aminomethyl)phenyl]methyl]naphthalen-2-amine
CID 115212943
3-[(naphthalen-2-ylamino)methyl]phenol
CID 43680286
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
N-[(2-chloro-6-fluorophenyl)methyl]naphthalen-2-amine
CID 43229432
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
N-[(5-chlorofuran-2-yl)methyl]naphthalen-2-amine
CID 60780199

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]naphthalen-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]naphthalen-2-amine (CID 13418586) is N-[(4-chlorophenyl)methyl]naphthalen-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]naphthalen-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]naphthalen-2-amine is Clc1ccc(CNc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]naphthalen-2-amine?
The InChIKey is ZMSZYHZCQOBREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN/c18-16-8-5-13(6-9-16)12-19-17-10-7-14-3-1-2-4-15(14)11-17/h1-11,19H,12H2.
What are the key properties of N-[(4-chlorophenyl)methyl]naphthalen-2-amine?
N-[(4-chlorophenyl)methyl]naphthalen-2-amine has a molecular weight of 267.76 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]naphthalen-2-amine is sourced from PubChem (CID 13418586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).