1-(2-chlorophenyl)-N-ethylpropan-2-amine

C11H16ClN — CID 43677539

IUPAC1-(2-chlorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccccc1Cl
InChIInChI=1S/C11H16ClN/c1-3-13-9(2)8-10-6-4-5-7-11(10)12/h4-7,9,13H,3,8H2,1-2H3
InChIKeySGMCMNFOFJGZEK-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.88
Rot. Bonds4

About 1-(2-chlorophenyl)-N-ethylpropan-2-amine

1-(2-chlorophenyl)-N-ethylpropan-2-amine (PubChem CID 43677539) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-ethylpropan-2-amine
PubChem CID43677539
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-(2-chlorophenyl)-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccccc1Cl
InChIInChI=1S/C11H16ClN/c1-3-13-9(2)8-10-6-4-5-7-11(10)12/h4-7,9,13H,3,8H2,1-2H3
InChIKeySGMCMNFOFJGZEK-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]-3,3-dimethylbutan-1-amine
CID 62964473
3-[(2-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62914731
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533
N-[1-(2-chlorophenyl)propan-2-yl]-1,1-difluoropropan-2-amine
CID 102868324
1-(2-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-2-amine
CID 43677385
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
(2S)-N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 95029864
1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine
CID 63428003
1-(2-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
CID 103783466
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-ethylpropan-2-amine (CID 43677539) is 1-(2-chlorophenyl)-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-ethylpropan-2-amine is CCNC(C)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-ethylpropan-2-amine?
The InChIKey is SGMCMNFOFJGZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-3-13-9(2)8-10-6-4-5-7-11(10)12/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-ethylpropan-2-amine?
1-(2-chlorophenyl)-N-ethylpropan-2-amine has a molecular weight of 197.71 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-ethylpropan-2-amine is sourced from PubChem (CID 43677539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).