1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine

C14H22ClNO — CID 79196771

IUPAC1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1Cl)C(C)(C)OC
InChIInChI=1S/C14H22ClNO/c1-5-10-16-13(14(2,3)17-4)11-8-6-7-9-12(11)15/h6-9,13,16H,5,10H2,1-4H3
InChIKeyIGGNNEFTNZHVIQ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.81
Rot. Bonds6

About 1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine

1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine (PubChem CID 79196771) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
PubChem CID79196771
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1Cl)C(C)(C)OC
InChIInChI=1S/C14H22ClNO/c1-5-10-16-13(14(2,3)17-4)11-8-6-7-9-12(11)15/h6-9,13,16H,5,10H2,1-4H3
InChIKeyIGGNNEFTNZHVIQ-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

1-(3-bromo-2-fluorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 106645853
1-(2-chlorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031576
2-methoxy-2-methyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 79196999
1-(3-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-2-amine
CID 102857759
1-(2,5-dichlorophenyl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 116727046
2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 116727056
2-methoxy-2-methyl-1-(2-methylphenyl)-N-propylbutan-1-amine
CID 116758324
1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760422
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
1-(2-chloro-4-fluorophenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 63419715
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 79196780

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine (CID 79196771) is 1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccccc1Cl)C(C)(C)OC.
What is the InChIKey of 1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine?
The InChIKey is IGGNNEFTNZHVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-10-16-13(14(2,3)17-4)11-8-6-7-9-12(11)15/h6-9,13,16H,5,10H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine?
1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-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 1-(2-chlorophenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 79196771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).