2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine

C16H18ClNO — CID 117441509

IUPAC2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-16(2,18)13-8-9-15(14(17)10-13)19-11-12-6-4-3-5-7-12/h3-10H,11,18H2,1-2H3
InChIKeyPRZWLDMHRPUNES-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.11
Rot. Bonds4

About 2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine

2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine (PubChem CID 117441509) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
PubChem CID117441509
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H18ClNO/c1-16(2,18)13-8-9-15(14(17)10-13)19-11-12-6-4-3-5-7-12/h3-10H,11,18H2,1-2H3
InChIKeyPRZWLDMHRPUNES-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
2-chloro-4-[1,1,1,3,3,3-hexafluoro-2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1-phenylmethoxybenzene
CID 86604223
1-amino-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 118323033
1-(3-chloro-4-phenylmethoxyphenyl)propan-1-amine
CID 82550716
1-(3-chloro-4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 170894576
2-(3-chloro-4-phenylmethoxyphenyl)aniline
CID 145161607
N-[[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768534
2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 63536063

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine?
The IUPAC name of 2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine (CID 117441509) is 2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine?
The canonical SMILES for 2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine is CC(C)(N)c1ccc(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine?
The InChIKey is PRZWLDMHRPUNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-16(2,18)13-8-9-15(14(17)10-13)19-11-12-6-4-3-5-7-12/h3-10H,11,18H2,1-2H3.
What are the key properties of 2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine?
2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine has a molecular weight of 275.78 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine is sourced from PubChem (CID 117441509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).