N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine

C13H19ClN2 — CID 91490292

IUPACN'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine
SMILESClc1ccccc1NCCCNCC1CC1
InChIInChI=1S/C13H19ClN2/c14-12-4-1-2-5-13(12)16-9-3-8-15-10-11-6-7-11/h1-2,4-5,11,15-16H,3,6-10H2
InChIKeyJKSKLTSVFXAPEF-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.14
Rot. Bonds7

About N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine

N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine (PubChem CID 91490292) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine
PubChem CID91490292
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine
SMILESClc1ccccc1NCCCNCC1CC1
InChIInChI=1S/C13H19ClN2/c14-12-4-1-2-5-13(12)16-9-3-8-15-10-11-6-7-11/h1-2,4-5,11,15-16H,3,6-10H2
InChIKeyJKSKLTSVFXAPEF-UHFFFAOYSA-N
XLogP3.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(cyclopentylmethyl)aniline
CID 61344994
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
2-(2-chlorophenyl)sulfanyl-N-(cyclopropylmethyl)ethanamine
CID 62582805
2-chloro-N-(2-cyclopentylsulfanylethyl)aniline
CID 63115728
2-chloro-N-[2-(2-cyclobutylethoxy)ethyl]aniline
CID 106206391
2-chloro-N-(4,4,4-trifluorobutyl)aniline
CID 115513479
N-(azepan-4-ylmethyl)-2-chloroaniline
CID 84700952
2-chloro-N-(4-methylsulfanylbutyl)aniline
CID 103087203
2-chloro-N-(2-pentoxyethyl)aniline
CID 62583761
2,6-dichloro-N-(cyclopropylmethyl)aniline
CID 13174436
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine (CID 91490292) is N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine is Clc1ccccc1NCCCNCC1CC1.
What is the InChIKey of N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine?
The InChIKey is JKSKLTSVFXAPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-12-4-1-2-5-13(12)16-9-3-8-15-10-11-6-7-11/h1-2,4-5,11,15-16H,3,6-10H2.
What are the key properties of N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine?
N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine has a molecular weight of 238.76 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-(cyclopropylmethyl)propane-1,3-diamine is sourced from PubChem (CID 91490292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).