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

C14H21ClN2 — CID 61440983

IUPAC5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline
SMILESCCCCN(Cc1ccc(Cl)c(N)c1)C1CC1
InChIInChI=1S/C14H21ClN2/c1-2-3-8-17(12-5-6-12)10-11-4-7-13(15)14(16)9-11/h4,7,9,12H,2-3,5-6,8,10,16H2,1H3
InChIKeyUYSKZAHZAWCVKZ-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.69
Rot. Bonds6

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

5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline (PubChem CID 61440983) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline.

Molecular Properties

Compound Name5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline
PubChem CID61440983
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline
SMILESCCCCN(Cc1ccc(Cl)c(N)c1)C1CC1
InChIInChI=1S/C14H21ClN2/c1-2-3-8-17(12-5-6-12)10-11-4-7-13(15)14(16)9-11/h4,7,9,12H,2-3,5-6,8,10,16H2,1H3
InChIKeyUYSKZAHZAWCVKZ-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

N-butyl-N-[(4-chloro-3-nitrophenyl)methyl]cyclopropanamine
CID 61441186
2-[[butyl(cyclopropyl)amino]methyl]-5-chloroaniline
CID 55037213
N-butyl-N-[(4-iodophenyl)methyl]cyclopropanamine
CID 65478565
4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline
CID 43270531
N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 43613742
N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806819
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-N-butylcyclopropanamine
CID 105347297
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
CID 63956947
3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline
CID 61440649
4-[[butyl(cyclopropyl)amino]methyl]-2-methoxybenzonitrile
CID 106788095
2-chloro-5-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006318
3-[[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]methyl]aniline
CID 43460843

Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline?
The IUPAC name of 5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline (CID 61440983) is 5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline.
What is the SMILES notation for 5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline?
The canonical SMILES for 5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline is CCCCN(Cc1ccc(Cl)c(N)c1)C1CC1.
What is the InChIKey of 5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline?
The InChIKey is UYSKZAHZAWCVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-3-8-17(12-5-6-12)10-11-4-7-13(15)14(16)9-11/h4,7,9,12H,2-3,5-6,8,10,16H2,1H3.
What are the key properties of 5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline?
5-[[butyl(cyclopropyl)amino]methyl]-2-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 5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline is sourced from PubChem (CID 61440983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).