(3-chlorophenyl)-(2-ethylcyclopropyl)methanamine

C12H16ClN — CID 127013676

IUPAC(3-chlorophenyl)-(2-ethylcyclopropyl)methanamine
SMILESCCC1CC1C(N)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClN/c1-2-8-7-11(8)12(14)9-4-3-5-10(13)6-9/h3-6,8,11-12H,2,7,14H2,1H3
InChIKeyRHTBOQPXUDAPEW-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.39
Rot. Bonds3

About (3-chlorophenyl)-(2-ethylcyclopropyl)methanamine

(3-chlorophenyl)-(2-ethylcyclopropyl)methanamine (PubChem CID 127013676) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-ethylcyclopropyl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-ethylcyclopropyl)methanamine
PubChem CID127013676
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name(3-chlorophenyl)-(2-ethylcyclopropyl)methanamine
SMILESCCC1CC1C(N)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClN/c1-2-8-7-11(8)12(14)9-4-3-5-10(13)6-9/h3-6,8,11-12H,2,7,14H2,1H3
InChIKeyRHTBOQPXUDAPEW-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-(2-methylcyclopentyl)methanamine
CID 107187965
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
1-(3-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55020028
(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63863285
(3-chlorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 115811426
(S)-(3-chlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171239392
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921325
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
5-(3-chlorophenyl)nonane-3,7-diamine
CID 170889684
(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine
CID 115566736
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
(1S)-1-(3-chlorophenyl)hexan-1-amine;hydrochloride
CID 171219101

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-ethylcyclopropyl)methanamine?
The IUPAC name of (3-chlorophenyl)-(2-ethylcyclopropyl)methanamine (CID 127013676) is (3-chlorophenyl)-(2-ethylcyclopropyl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(2-ethylcyclopropyl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(2-ethylcyclopropyl)methanamine is CCC1CC1C(N)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-(2-ethylcyclopropyl)methanamine?
The InChIKey is RHTBOQPXUDAPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-2-8-7-11(8)12(14)9-4-3-5-10(13)6-9/h3-6,8,11-12H,2,7,14H2,1H3.
What are the key properties of (3-chlorophenyl)-(2-ethylcyclopropyl)methanamine?
(3-chlorophenyl)-(2-ethylcyclopropyl)methanamine has a molecular weight of 209.72 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2-ethylcyclopropyl)methanamine is sourced from PubChem (CID 127013676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).