3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine

C17H20ClNO — CID 170867838

IUPAC3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
SMILESCc1cccc(COc2ccc(Cl)cc2CCCN)c1
InChIInChI=1S/C17H20ClNO/c1-13-4-2-5-14(10-13)12-20-17-8-7-16(18)11-15(17)6-3-9-19/h2,4-5,7-8,10-11H,3,6,9,12,19H2,1H3
InChIKeyNTVHHMQWSAQTHP-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.12
Rot. Bonds6

About 3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine

3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine (PubChem CID 170867838) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
PubChem CID170867838
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
SMILESCc1cccc(COc2ccc(Cl)cc2CCCN)c1
InChIInChI=1S/C17H20ClNO/c1-13-4-2-5-14(10-13)12-20-17-8-7-16(18)11-15(17)6-3-9-19/h2,4-5,7-8,10-11H,3,6,9,12,19H2,1H3
InChIKeyNTVHHMQWSAQTHP-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine
CID 170867877
3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 170878755
4-[2-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 20985430
3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866415
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848
1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 55031626
1-[2-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20994061
3-(3-methylphenyl)propan-1-amine
CID 12666388
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 54910865
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126124166
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine (CID 170867838) is 3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine is Cc1cccc(COc2ccc(Cl)cc2CCCN)c1.
What is the InChIKey of 3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is NTVHHMQWSAQTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13-4-2-5-14(10-13)12-20-17-8-7-16(18)11-15(17)6-3-9-19/h2,4-5,7-8,10-11H,3,6,9,12,19H2,1H3.
What are the key properties of 3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine?
3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 170867838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).