N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine

C13H20ClN — CID 61166997

IUPACN-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(NCC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C13H20ClN/c1-10(15-9-13(2,3)4)11-7-5-6-8-12(11)14/h5-8,10,15H,9H2,1-4H3
InChIKeyGYUNJGGRKLGLLH-UHFFFAOYSA-N
MW225.76 g/mol
LogP4.04
Rot. Bonds3

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

N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine (PubChem CID 61166997) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
PubChem CID61166997
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
SMILESCC(NCC(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C13H20ClN/c1-10(15-9-13(2,3)4)11-7-5-6-8-12(11)14/h5-8,10,15H,9H2,1-4H3
InChIKeyGYUNJGGRKLGLLH-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388
1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81379444
N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941041
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209435
N-[1-(2-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61168179
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43080987
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine
CID 81378188
(2R)-1-[1-(2-chlorophenyl)ethylamino]propan-2-ol
CID 103906814
N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81379336
1-(2-chlorophenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]ethanol
CID 81378384
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine (CID 61166997) is N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine is CC(NCC(C)(C)C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine?
The InChIKey is GYUNJGGRKLGLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-10(15-9-13(2,3)4)11-7-5-6-8-12(11)14/h5-8,10,15H,9H2,1-4H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine?
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 4.04, 3 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]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61166997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).