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

C16H18ClNO — CID 12807452

IUPAC3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(Oc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-18-11-10-16(13-6-3-2-4-7-13)19-15-9-5-8-14(17)12-15/h2-9,12,16,18H,10-11H2,1H3
InChIKeyVXCMIVKXXXJRAP-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.07
Rot. Bonds6

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

3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine (PubChem CID 12807452) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine
PubChem CID12807452
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(Oc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H18ClNO/c1-18-11-10-16(13-6-3-2-4-7-13)19-15-9-5-8-14(17)12-15/h2-9,12,16,18H,10-11H2,1H3
InChIKeyVXCMIVKXXXJRAP-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine (CID 12807452) is 3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine is CNCCC(Oc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is VXCMIVKXXXJRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-18-11-10-16(13-6-3-2-4-7-13)19-15-9-5-8-14(17)12-15/h2-9,12,16,18H,10-11H2,1H3.
What are the key properties of 3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine?
3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 12807452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).