2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine

C16H18ClNO — CID 102940597

IUPAC2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine
SMILESNCC(COCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c17-16-9-5-4-8-15(16)14(10-18)12-19-11-13-6-2-1-3-7-13/h1-9,14H,10-12,18H2
InChIKeyKUJSRIUYDZXXBN-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.60
Rot. Bonds6

About 2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine

2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine (PubChem CID 102940597) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine
PubChem CID102940597
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine
SMILESNCC(COCc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c17-16-9-5-4-8-15(16)14(10-18)12-19-11-13-6-2-1-3-7-13/h1-9,14H,10-12,18H2
InChIKeyKUJSRIUYDZXXBN-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine
CID 102940598
2-(4-bromophenyl)-3-phenylmethoxypropan-1-amine
CID 102940584
2-(3-fluorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940587
3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine
CID 82107556
1-bromo-2-(1-chloro-3-phenylmethoxypropan-2-yl)benzene
CID 102941003
1-(1-chloro-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940982
2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine
CID 79449337
2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine
CID 102940409
1-(1-bromo-3-phenylmethoxypropan-2-yl)-2-methylbenzene
CID 102940983
2-(2-chlorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412655
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
2-(2-chlorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182315

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine (CID 102940597) is 2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine is NCC(COCc1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine?
The InChIKey is KUJSRIUYDZXXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c17-16-9-5-4-8-15(16)14(10-18)12-19-11-13-6-2-1-3-7-13/h1-9,14H,10-12,18H2.
What are the key properties of 2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine?
2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine is sourced from PubChem (CID 102940597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).