1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine

C16H18ClNO — CID 105084979

IUPAC1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
SMILESCNC(COc1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-18-15(11-13-5-3-2-4-6-13)12-19-16-9-7-14(17)8-10-16/h2-10,15,18H,11-12H2,1H3
InChIKeyYLQDQHKZBVTGNS-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.55
Rot. Bonds6

About 1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine

1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine (PubChem CID 105084979) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
PubChem CID105084979
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
SMILESCNC(COc1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C16H18ClNO/c1-18-15(11-13-5-3-2-4-6-13)12-19-16-9-7-14(17)8-10-16/h2-10,15,18H,11-12H2,1H3
InChIKeyYLQDQHKZBVTGNS-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenoxy)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 105096561
1-(3-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084372
1-(4-chlorophenoxy)-3-methoxy-N-methylpropan-2-amine
CID 105165684
1-(4-chlorophenoxy)-N-methylhexan-2-amine
CID 105125626
[1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-yl]hydrazine
CID 105287885
1-(3-chlorophenoxy)-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 105088402
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-phenylpropan-2-amine
CID 105084518
1-(4-chlorophenoxy)-N,5-dimethylhex-5-en-2-amine
CID 105182676
1-(3-chlorophenoxy)-3-(3,5-dimethylphenyl)-N-methylpropan-2-amine
CID 105098748
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
4-chloro-N-(1,3-diphenylpropan-2-yl)aniline
CID 175391437
1-(4-chlorophenoxy)-N-methyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105167751

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine (CID 105084979) is 1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine is CNC(COc1ccc(Cl)cc1)Cc1ccccc1.
What is the InChIKey of 1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine?
The InChIKey is YLQDQHKZBVTGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-18-15(11-13-5-3-2-4-6-13)12-19-16-9-7-14(17)8-10-16/h2-10,15,18H,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine?
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine has a molecular weight of 275.78 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine is sourced from PubChem (CID 105084979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).