1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine

C13H18ClN — CID 43677533

IUPAC1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
SMILESCC(Cc1ccccc1Cl)NCC1CC1
InChIInChI=1S/C13H18ClN/c1-10(15-9-11-6-7-11)8-12-4-2-3-5-13(12)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyZIXVQKWTEWJYCL-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.27
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine

1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine (PubChem CID 43677533) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
PubChem CID43677533
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
SMILESCC(Cc1ccccc1Cl)NCC1CC1
InChIInChI=1S/C13H18ClN/c1-10(15-9-11-6-7-11)8-12-4-2-3-5-13(12)14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyZIXVQKWTEWJYCL-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
1-(2-chlorophenyl)-N-ethylpropan-2-amine
CID 43677539
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677397
N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine
CID 62964473
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine
CID 102868324
(2S)-N-[(1,1-dioxothian-4-yl)methyl]-1-(2-methylsulfanylphenyl)propan-2-amine
CID 99853737
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
CID 103783466
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 60936319
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine (CID 43677533) is 1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine is CC(Cc1ccccc1Cl)NCC1CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine?
The InChIKey is ZIXVQKWTEWJYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-10(15-9-11-6-7-11)8-12-4-2-3-5-13(12)14/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine?
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine has a molecular weight of 223.75 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine is sourced from PubChem (CID 43677533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).