N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine

C12H16ClN — CID 81352556

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-9(2)8-14-10(3)11-4-6-12(13)7-5-11/h4-7,10,14H,1,8H2,2-3H3/t10-/m1/s1
InChIKeyOJMIBXILIZBWCJ-SNVBAGLBSA-N
MW209.72 g/mol
LogP3.57
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 81352556) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID81352556
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CN[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN/c1-9(2)8-14-10(3)11-4-6-12(13)7-5-11/h4-7,10,14H,1,8H2,2-3H3/t10-/m1/s1
InChIKeyOJMIBXILIZBWCJ-SNVBAGLBSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(1-phenylethyl)prop-2-en-1-amine
CID 60684137
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328414
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371487
N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline
CID 114449211
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371407
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]prop-2-en-1-amine
CID 115900097
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
CID 104579893
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propan-1-ol
CID 28714593

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine (CID 81352556) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine is C=C(C)CN[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is OJMIBXILIZBWCJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9(2)8-14-10(3)11-4-6-12(13)7-5-11/h4-7,10,14H,1,8H2,2-3H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 209.72 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 81352556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).