3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine

C16H18ClNO — CID 170878755

IUPAC3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine
SMILESNCCCc1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c17-15-8-3-5-13(11-15)12-19-16-9-2-1-6-14(16)7-4-10-18/h1-3,5-6,8-9,11H,4,7,10,12,18H2
InChIKeyXXSAPYQZQKIPBH-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.81
Rot. Bonds6

About 3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine

3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine (PubChem CID 170878755) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine
PubChem CID170878755
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine
SMILESNCCCc1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO/c17-15-8-3-5-13(11-15)12-19-16-9-2-1-6-14(16)7-4-10-18/h1-3,5-6,8-9,11H,4,7,10,12,18H2
InChIKeyXXSAPYQZQKIPBH-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170867838
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine
CID 170867877
4-[3-[2-[(3-chlorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870365
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
2-[[2-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66528475
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170867827

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine (CID 170878755) is 3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine is NCCCc1ccccc1OCc1cccc(Cl)c1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is XXSAPYQZQKIPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c17-15-8-3-5-13(11-15)12-19-16-9-2-1-6-14(16)7-4-10-18/h1-3,5-6,8-9,11H,4,7,10,12,18H2.
What are the key properties of 3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine?
3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 170878755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).