N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine

C12H18ClNO — CID 62107818

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
SMILESCOC(CNC(C)C)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-9(2)14-8-12(15-3)10-6-4-5-7-11(10)13/h4-7,9,12,14H,8H2,1-3H3
InChIKeyHMSFACJXMVLKHK-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine

N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine (PubChem CID 62107818) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
PubChem CID62107818
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
SMILESCOC(CNC(C)C)c1ccccc1Cl
InChIInChI=1S/C12H18ClNO/c1-9(2)14-8-12(15-3)10-6-4-5-7-11(10)13/h4-7,9,12,14H,8H2,1-3H3
InChIKeyHMSFACJXMVLKHK-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine
CID 62108651
N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine
CID 62108356
N-[2-(2-chlorophenyl)-2-(3,3-dimethylbutoxy)ethyl]propan-2-amine
CID 66226677
N-[2-(2-chlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine
CID 115942620
(2R)-2-(2-chlorophenyl)-2-methoxy-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine
CID 97103398
N-[2-(2-chlorophenyl)-2-(2-cyclopropylethoxy)ethyl]propan-2-amine
CID 106204897
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62986141
(2S)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-1,1,1-trifluoropropane-2-sulfonamide
CID 97306334
3-(2-chlorophenyl)-3-methoxypropan-1-ol
CID 105453227
2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 103984866

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine (CID 62107818) is N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine is COC(CNC(C)C)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine?
The InChIKey is HMSFACJXMVLKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-9(2)14-8-12(15-3)10-6-4-5-7-11(10)13/h4-7,9,12,14H,8H2,1-3H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine?
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine has a molecular weight of 227.73 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine is sourced from PubChem (CID 62107818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).