2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine

C20H21ClN2 — CID 57137321

IUPAC2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine
SMILESNCC(Cc1cccc2ccccc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2/c21-18-10-8-15(9-11-18)14-23-19(13-22)12-17-6-3-5-16-4-1-2-7-20(16)17/h1-11,19,23H,12-14,22H2
InChIKeyMKVOWIAGNDTWHW-UHFFFAOYSA-N
MW324.86 g/mol
LogP4.15
Rot. Bonds6

About 2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine

2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine (PubChem CID 57137321) has the molecular formula C20H21ClN2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine
PubChem CID57137321
Molecular FormulaC20H21ClN2
Molecular Weight324.86 g/mol
Exact Mass324.14
IUPAC Name2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine
SMILESNCC(Cc1cccc2ccccc12)NCc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2/c21-18-10-8-15(9-11-18)14-23-19(13-22)12-17-6-3-5-16-4-1-2-7-20(16)17/h1-11,19,23H,12-14,22H2
InChIKeyMKVOWIAGNDTWHW-UHFFFAOYSA-N
XLogP4.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
CID 57250877
(3S)-4-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 53341147
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol
CID 129056722
1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene
CID 63543264
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100508937
(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
CID 37134613
N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001
1-[3-bromo-2-(4-chlorophenyl)propyl]naphthalene
CID 79433637
(2S)-N-[(2S)-1-amino-3-naphthalen-1-ylpropan-2-yl]-N'-methyl-2-(3-naphthalen-1-ylpropyl)pentane-1,5-diamine
CID 159924619
N"-[(4-chlorophenyl)methyl]methanetriamine
CID 143471410
N-[(4-chlorophenyl)methyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396902

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine (CID 57137321) is 2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine is NCC(Cc1cccc2ccccc12)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine?
The InChIKey is MKVOWIAGNDTWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2/c21-18-10-8-15(9-11-18)14-23-19(13-22)12-17-6-3-5-16-4-1-2-7-20(16)17/h1-11,19,23H,12-14,22H2.
What are the key properties of 2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine?
2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine has a molecular weight of 324.86 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorophenyl)methyl]-3-naphthalen-1-ylpropane-1,2-diamine is sourced from PubChem (CID 57137321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).