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

C14H22ClNO — CID 114941041

IUPACN-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNC(C)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-5-17-14(3,4)10-16-11(2)12-8-6-7-9-13(12)15/h6-9,11,16H,5,10H2,1-4H3
InChIKeyISMZQVSZEABUIC-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.81
Rot. Bonds6

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

N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine (PubChem CID 114941041) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine
PubChem CID114941041
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNC(C)c1ccccc1Cl
InChIInChI=1S/C14H22ClNO/c1-5-17-14(3,4)10-16-11(2)12-8-6-7-9-13(12)15/h6-9,11,16H,5,10H2,1-4H3
InChIKeyISMZQVSZEABUIC-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81377388
N-[1-(2-chlorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166997
1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81379444
2-ethoxy-2-methyl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 114941166
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,2-diethoxyethanamine
CID 81378877
N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3-diethoxypropan-1-amine
CID 81378294
ethyl 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propanoate
CID 81378408
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209435
(1S)-1-(2-chlorophenyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 81379566
N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43080987
tert-butyl 2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetate
CID 81378736
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,2-difluoroethanamine
CID 81378188

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine (CID 114941041) is N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)CNC(C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is ISMZQVSZEABUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-17-14(3,4)10-16-11(2)12-8-6-7-9-13(12)15/h6-9,11,16H,5,10H2,1-4H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine?
N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114941041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).