N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine

C12H18ClN — CID 101225058

IUPACN-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-9(2)14(4)10(3)11-5-7-12(13)8-6-11/h5-10H,1-4H3
InChIKeyVXGYEPNWBUOZBX-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.74
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine

N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine (PubChem CID 101225058) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
PubChem CID101225058
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClN/c1-9(2)14(4)10(3)11-5-7-12(13)8-6-11/h5-10H,1-4H3
InChIKeyVXGYEPNWBUOZBX-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62984553
3-N-[1-(4-chlorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine
CID 55139687
2-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N,3-trimethylbutane-1,2-diamine
CID 62984913
2-N-[1-(4-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 63501755
3-N-[1-(4-chlorophenyl)ethyl]-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81012189
2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63492609
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
CID 121403567
N-(2-bromoethyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 62984148
4-N-[1-(4-chlorophenyl)ethyl]-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62985786
N-[1-(4-chlorophenyl)ethyl]-N-methylpropane-1-sulfonamide
CID 61383758
N'-[1-(4-chlorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62980472
(1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78941055

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine (CID 101225058) is N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine is CC(C)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine?
The InChIKey is VXGYEPNWBUOZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN/c1-9(2)14(4)10(3)11-5-7-12(13)8-6-11/h5-10H,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine?
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine has a molecular weight of 211.74 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 101225058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).