1-(3-chlorophenoxy)-N-methylpropan-2-amine

C10H14ClNO — CID 112692970

IUPAC1-(3-chlorophenoxy)-N-methylpropan-2-amine
SMILESCNC(C)COc1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-8(12-2)7-13-10-5-3-4-9(11)6-10/h3-6,8,12H,7H2,1-2H3
InChIKeySWVYPTPGTUCNMC-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.33
Rot. Bonds4

About 1-(3-chlorophenoxy)-N-methylpropan-2-amine

1-(3-chlorophenoxy)-N-methylpropan-2-amine (PubChem CID 112692970) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(3-chlorophenoxy)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenoxy)-N-methylpropan-2-amine
PubChem CID112692970
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(3-chlorophenoxy)-N-methylpropan-2-amine
SMILESCNC(C)COc1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-8(12-2)7-13-10-5-3-4-9(11)6-10/h3-6,8,12H,7H2,1-2H3
InChIKeySWVYPTPGTUCNMC-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenoxy)-N,3-dimethylbutan-2-amine
CID 105077820
1-(3-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165517
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
1-chloro-3-(2-methylbutoxy)benzene
CID 64764370
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
3-(3-chlorophenoxy)-2-methylpropan-1-ol
CID 82076436
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
1-(3-chlorophenoxy)-N,5,5-trimethylhexan-2-amine
CID 105139931
1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 105098748
1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 105088402
1-(3-chlorophenoxy)-5-methylhexan-2-amine
CID 105126678
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 105190357

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenoxy)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-chlorophenoxy)-N-methylpropan-2-amine (CID 112692970) is 1-(3-chlorophenoxy)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorophenoxy)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-chlorophenoxy)-N-methylpropan-2-amine is CNC(C)COc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenoxy)-N-methylpropan-2-amine?
The InChIKey is SWVYPTPGTUCNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-8(12-2)7-13-10-5-3-4-9(11)6-10/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 1-(3-chlorophenoxy)-N-methylpropan-2-amine?
1-(3-chlorophenoxy)-N-methylpropan-2-amine has a molecular weight of 199.68 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenoxy)-N-methylpropan-2-amine is sourced from PubChem (CID 112692970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).