N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine

C17H20ClNO — CID 60695260

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine
SMILESCOc1ccc(Cl)cc1CNCC(C)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-13(14-6-4-3-5-7-14)11-19-12-15-10-16(18)8-9-17(15)20-2/h3-10,13,19H,11-12H2,1-2H3
InChIKeyYIGDBTZGUWQPDO-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.24
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine (PubChem CID 60695260) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine
PubChem CID60695260
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine
SMILESCOc1ccc(Cl)cc1CNCC(C)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-13(14-6-4-3-5-7-14)11-19-12-15-10-16(18)8-9-17(15)20-2/h3-10,13,19H,11-12H2,1-2H3
InChIKeyYIGDBTZGUWQPDO-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904397
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CID 4723308
5-chloro-2-methoxy-N-(2-phenylpropyl)aniline
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1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
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N-[(3,4-dimethoxyphenyl)methyl]-2-phenylpropan-1-amine
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2-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254453
2-amino-3-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 115240654
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
2-(5-chloro-2-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 8866171
5-chloro-2-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
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CID 81368416

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine (CID 60695260) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine is COc1ccc(Cl)cc1CNCC(C)c1ccccc1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine?
The InChIKey is YIGDBTZGUWQPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(14-6-4-3-5-7-14)11-19-12-15-10-16(18)8-9-17(15)20-2/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 60695260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).