1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine

C14H18ClN — CID 105497358

IUPAC1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2ccc(C3CC3)c(Cl)c2)CC1
InChIInChI=1S/C14H18ClN/c15-13-9-10(5-6-14(16)7-8-14)1-4-12(13)11-2-3-11/h1,4,9,11H,2-3,5-8,16H2
InChIKeyGVFPMAGQRSMCCR-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.64
Rot. Bonds4

About 1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine

1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine (PubChem CID 105497358) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine
PubChem CID105497358
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2ccc(C3CC3)c(Cl)c2)CC1
InChIInChI=1S/C14H18ClN/c15-13-9-10(5-6-14(16)7-8-14)1-4-12(13)11-2-3-11/h1,4,9,11H,2-3,5-8,16H2
InChIKeyGVFPMAGQRSMCCR-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-cyclopropyl-4-ethylbenzene
CID 138612116
O-[2-(3-chloro-4-cyclohexylphenyl)ethyl]hydroxylamine
CID 117387845
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647
1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117293738
1-(3-chloro-4-cyclopropylphenyl)cyclopentan-1-amine
CID 117344068
1-(2-naphthalen-2-ylethyl)cyclopropan-1-amine
CID 23106122
1-(3-chloro-4-cyclopropylphenyl)propan-2-ol
CID 117300896
2-[3-chloro-4-(thiolan-3-yl)phenyl]ethanol
CID 117358971
1-[(4-cyclopropyl-3-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117309842
1-(3-chloro-4-cyclopropylphenyl)-N-methoxymethanamine
CID 117302343
4-[4-(2-aminoethyl)-2-chlorophenyl]piperidine-1-carboxylic acid
CID 130303023
2-[4-[2-(1-aminocyclopropyl)ethyl]phenyl]ethanol
CID 105457995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine (CID 105497358) is 1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine is NC1(CCc2ccc(C3CC3)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is GVFPMAGQRSMCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c15-13-9-10(5-6-14(16)7-8-14)1-4-12(13)11-2-3-11/h1,4,9,11H,2-3,5-8,16H2.
What are the key properties of 1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine?
1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 235.76 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-cyclopropylphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105497358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).