2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline

C14H21ClN2 — CID 55037213

IUPAC2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline
SMILESCCCCN(Cc1ccc(Cl)cc1N)C1CC1
InChIInChI=1S/C14H21ClN2/c1-2-3-8-17(13-6-7-13)10-11-4-5-12(15)9-14(11)16/h4-5,9,13H,2-3,6-8,10,16H2,1H3
InChIKeyFNGNXLOEPOMWFB-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.69
Rot. Bonds6

About 2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline

2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline (PubChem CID 55037213) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline.

Molecular Properties

Compound Name2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline
PubChem CID55037213
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline
SMILESCCCCN(Cc1ccc(Cl)cc1N)C1CC1
InChIInChI=1S/C14H21ClN2/c1-2-3-8-17(13-6-7-13)10-11-4-5-12(15)9-14(11)16/h4-5,9,13H,2-3,6-8,10,16H2,1H3
InChIKeyFNGNXLOEPOMWFB-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline
CID 61440983
3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline
CID 61440649
2-[(2-amino-4-chlorophenyl)methyl-butylamino]acetamide
CID 55037491
4-[[butyl(cyclopropyl)amino]methyl]-3-fluorobenzenecarbothioamide
CID 61441292
N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine
CID 66568165
2-[[butyl(cyclopropyl)amino]methyl]-5-fluorobenzenecarbothioamide
CID 63292633
5-chloro-2-dodecylaniline
CID 139793979
N-(2-bromoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclopropanamine
CID 103050016
2-[[butyl(cyclopropyl)amino]methyl]-4-fluorobenzenecarbothioamide
CID 64763583
N-(3-bromopropyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050093
5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 63632089
N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine
CID 65327043

Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline?
The IUPAC name of 2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline (CID 55037213) is 2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline.
What is the SMILES notation for 2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline?
The canonical SMILES for 2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline is CCCCN(Cc1ccc(Cl)cc1N)C1CC1.
What is the InChIKey of 2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline?
The InChIKey is FNGNXLOEPOMWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-3-8-17(13-6-7-13)10-11-4-5-12(15)9-14(11)16/h4-5,9,13H,2-3,6-8,10,16H2,1H3.
What are the key properties of 2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline?
2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline has a molecular weight of 252.79 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline is sourced from PubChem (CID 55037213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).