N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine

C14H20ClN — CID 115623733

IUPACN-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine
SMILESCC(NCC(C)C1CC1)c1ccccc1Cl
InChIInChI=1S/C14H20ClN/c1-10(12-7-8-12)9-16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyNYLRPQBENJTBER-UHFFFAOYSA-N
MW237.77 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine

N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine (PubChem CID 115623733) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine
PubChem CID115623733
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine
SMILESCC(NCC(C)C1CC1)c1ccccc1Cl
InChIInChI=1S/C14H20ClN/c1-10(12-7-8-12)9-16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyNYLRPQBENJTBER-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-N-(1-phenylethyl)propan-1-amine
CID 115638910
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine
CID 81378188
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406
(1R)-1-(2-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81377860
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8599057
2-[1-(2-chlorophenyl)ethylamino]-N-(dicyclopropylmethyl)acetamide
CID 86918952
1-[1-(2-chlorophenyl)ethylamino]-3-methylbutan-2-ol
CID 111755606
(1R)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377732
(1S)-1-(2-chlorophenyl)-N-(cycloheptylmethyl)ethanamine
CID 81377152
1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine (CID 115623733) is N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine is CC(NCC(C)C1CC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine?
The InChIKey is NYLRPQBENJTBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-10(12-7-8-12)9-16-11(2)13-5-3-4-6-14(13)15/h3-6,10-12,16H,7-9H2,1-2H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine?
N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine has a molecular weight of 237.77 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 115623733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).