1-phenyl-3-phenylmethoxypropan-2-amine

C16H19NO — CID 12815227

IUPAC1-phenyl-3-phenylmethoxypropan-2-amine
SMILESNC(COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H19NO/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h1-10,16H,11-13,17H2
InChIKeyWTTMVTUTZZPLGZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.77
Rot. Bonds6

About 1-phenyl-3-phenylmethoxypropan-2-amine

1-phenyl-3-phenylmethoxypropan-2-amine (PubChem CID 12815227) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-phenyl-3-phenylmethoxypropan-2-amine.

Molecular Properties

Compound Name1-phenyl-3-phenylmethoxypropan-2-amine
PubChem CID12815227
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-phenyl-3-phenylmethoxypropan-2-amine
SMILESNC(COCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H19NO/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h1-10,16H,11-13,17H2
InChIKeyWTTMVTUTZZPLGZ-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
(2S)-2-amino-3-phenylmethoxypropane-1-thiol
CID 87876386
(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane
CID 158419681
(2S)-1-[(2-methylphenyl)methoxy]-3-phenylpropan-2-amine
CID 35753956
4-[[(2S)-2-amino-3-phenylpropoxy]methyl]benzoic acid;2,2,2-trifluoroacetic acid
CID 162307601
methyl 4-[[(2S)-2-amino-3-phenylpropoxy]methyl]benzoate
CID 66837240
methyl 4-[[(2S)-2-amino-3-phenylpropoxy]methyl]benzoate;hydrochloride
CID 86698259
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
1-(3-methylsulfonylphenyl)-3-phenylmethoxypropan-2-amine
CID 123390478
4-(2-amino-3-benzylperoxypropyl)phenol
CID 89111499
1-(2-amino-3-phenylpropoxy)ethenol
CID 91268849

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-phenylmethoxypropan-2-amine?
The IUPAC name of 1-phenyl-3-phenylmethoxypropan-2-amine (CID 12815227) is 1-phenyl-3-phenylmethoxypropan-2-amine.
What is the SMILES notation for 1-phenyl-3-phenylmethoxypropan-2-amine?
The canonical SMILES for 1-phenyl-3-phenylmethoxypropan-2-amine is NC(COCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-phenyl-3-phenylmethoxypropan-2-amine?
The InChIKey is WTTMVTUTZZPLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c17-16(11-14-7-3-1-4-8-14)13-18-12-15-9-5-2-6-10-15/h1-10,16H,11-13,17H2.
What are the key properties of 1-phenyl-3-phenylmethoxypropan-2-amine?
1-phenyl-3-phenylmethoxypropan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-phenylmethoxypropan-2-amine is sourced from PubChem (CID 12815227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).