5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline

C14H21ClN2 — CID 63632089

IUPAC5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccc(Cl)cc1N)CC1CCCC1
InChIInChI=1S/C14H21ClN2/c1-17(9-11-4-2-3-5-11)10-12-6-7-13(15)8-14(12)16/h6-8,11H,2-5,9-10,16H2,1H3
InChIKeyWJKZCAZWPWQZAD-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.54
Rot. Bonds4

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

5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline (PubChem CID 63632089) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
PubChem CID63632089
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccc(Cl)cc1N)CC1CCCC1
InChIInChI=1S/C14H21ClN2/c1-17(9-11-4-2-3-5-11)10-12-6-7-13(15)8-14(12)16/h6-8,11H,2-5,9-10,16H2,1H3
InChIKeyWJKZCAZWPWQZAD-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.54
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-2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 55227188
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
3-[[cyclopentylmethyl(methyl)amino]methyl]naphthalen-2-amine
CID 63657165
4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 79582408
5-chloro-2-(cyclohexylmethyl)aniline
CID 105481516
2-[[cyclopropylmethyl(methyl)amino]methyl]-5-methoxyaniline
CID 115413829
4-chloro-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 79582729
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 61445030
4-[[cyclopentylmethyl(methyl)amino]methyl]-3-(trifluoromethyl)aniline
CID 81116864
3-chloro-2-[[cyclohexylmethyl(methyl)amino]methyl]aniline
CID 55242058
N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 79255512

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline?
The IUPAC name of 5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline (CID 63632089) is 5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline is CN(Cc1ccc(Cl)cc1N)CC1CCCC1.
What is the InChIKey of 5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline?
The InChIKey is WJKZCAZWPWQZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-17(9-11-4-2-3-5-11)10-12-6-7-13(15)8-14(12)16/h6-8,11H,2-5,9-10,16H2,1H3.
What are the key properties of 5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline?
5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline has a molecular weight of 252.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 63632089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).