N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine

C12H16ClN — CID 106818906

IUPACN-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
SMILESCc1ccc(CCNC2CC2)cc1Cl
InChIInChI=1S/C12H16ClN/c1-9-2-3-10(8-12(9)13)6-7-14-11-4-5-11/h2-3,8,11,14H,4-7H2,1H3
InChIKeyHVQIYIDDKOGBHM-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.94
Rot. Bonds4

About N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine

N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine (PubChem CID 106818906) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
PubChem CID106818906
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC NameN-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
SMILESCc1ccc(CCNC2CC2)cc1Cl
InChIInChI=1S/C12H16ClN/c1-9-2-3-10(8-12(9)13)6-7-14-11-4-5-11/h2-3,8,11,14H,4-7H2,1H3
InChIKeyHVQIYIDDKOGBHM-UHFFFAOYSA-N
XLogP2.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769
N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-[2-(2-chloro-3-methylquinolin-6-yl)ethyl]cyclopropanamine
CID 116997859
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
N-[2-(4-ethylphenyl)ethyl]cyclopropanamine
CID 62550255
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
CID 131898978
N-[6-(3-chloro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65308462
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
N-[(E)-4-(3-chloro-4-methylphenyl)but-3-enyl]cyclopropanamine
CID 107561085
N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 106816263

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine (CID 106818906) is N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine is Cc1ccc(CCNC2CC2)cc1Cl.
What is the InChIKey of N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine?
The InChIKey is HVQIYIDDKOGBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-2-3-10(8-12(9)13)6-7-14-11-4-5-11/h2-3,8,11,14H,4-7H2,1H3.
What are the key properties of N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine?
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine has a molecular weight of 209.72 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 106818906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).