2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline

C13H19ClN2 — CID 63956947

IUPAC2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
SMILESCCN(Cc1ccc(Cl)c(N)c1)CC1CC1
InChIInChI=1S/C13H19ClN2/c1-2-16(8-10-3-4-10)9-11-5-6-12(14)13(15)7-11/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyXOMZEWZXKAFTJM-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.15
Rot. Bonds5

About 2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline

2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline (PubChem CID 63956947) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
PubChem CID63956947
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
SMILESCCN(Cc1ccc(Cl)c(N)c1)CC1CC1
InChIInChI=1S/C13H19ClN2/c1-2-16(8-10-3-4-10)9-11-5-6-12(14)13(15)7-11/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyXOMZEWZXKAFTJM-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.15
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-chloro-6-[[cyclopropylmethyl(ethyl)amino]methyl]pyridin-2-amine
CID 63956306
[4-[[bis[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine;ethanol
CID 142934441
2-chloro-5-[[2-ethoxyethyl(ethyl)amino]methyl]aniline
CID 63697878
4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
CID 139020937
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 43613742
5-[[butyl(cyclopropyl)amino]methyl]-2-chloroaniline
CID 61440983
2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline
CID 43265322
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
N-[[4-(aminomethyl)cyclohexyl]methyl]-N-[(3,4-dichlorophenyl)methyl]-2-methylpropan-1-amine
CID 142934317
[4-[[cyclohexylmethyl-[(3,4-dichlorophenyl)methyl]amino]methyl]cyclohexyl]methanamine
CID 142934345
5-[[butan-2-yl(ethyl)amino]methyl]-2-chloroaniline
CID 43274087

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline?
The IUPAC name of 2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline (CID 63956947) is 2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline.
What is the SMILES notation for 2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline?
The canonical SMILES for 2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline is CCN(Cc1ccc(Cl)c(N)c1)CC1CC1.
What is the InChIKey of 2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline?
The InChIKey is XOMZEWZXKAFTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-2-16(8-10-3-4-10)9-11-5-6-12(14)13(15)7-11/h5-7,10H,2-4,8-9,15H2,1H3.
What are the key properties of 2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline?
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline has a molecular weight of 238.76 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline is sourced from PubChem (CID 63956947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).