2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine

C17H20ClNO — CID 102940409

IUPAC2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine
SMILESNCC(COCc1ccccc1)Cc1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c18-17-8-4-7-15(10-17)9-16(11-19)13-20-12-14-5-2-1-3-6-14/h1-8,10,16H,9,11-13,19H2
InChIKeyHKFRVGHENNSIRQ-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.67
Rot. Bonds7

About 2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine

2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine (PubChem CID 102940409) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine
PubChem CID102940409
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine
SMILESNCC(COCc1ccccc1)Cc1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c18-17-8-4-7-15(10-17)9-16(11-19)13-20-12-14-5-2-1-3-6-14/h1-8,10,16H,9,11-13,19H2
InChIKeyHKFRVGHENNSIRQ-UHFFFAOYSA-N
XLogP3.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine
CID 65318331
2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol
CID 102940911
2-[(3-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528398
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine
CID 63497587
1-[(3-bromo-2-phenylpropoxy)methyl]-3-chlorobenzene
CID 65124851
1-(3-chlorophenyl)-3-phenoxypropan-2-amine
CID 55103537
2-[(3-chlorophenyl)methyl]-4-ethylsulfonylbutan-1-amine
CID 62531212
2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496703
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
1-chloro-3-(2-chloro-3-phenoxypropyl)benzene
CID 14937130
2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940597
2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol
CID 82350302

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine (CID 102940409) is 2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine is NCC(COCc1ccccc1)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine?
The InChIKey is HKFRVGHENNSIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c18-17-8-4-7-15(10-17)9-16(11-19)13-20-12-14-5-2-1-3-6-14/h1-8,10,16H,9,11-13,19H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine?
2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine is sourced from PubChem (CID 102940409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).