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

C16H18ClNO — CID 78932396

IUPAC(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-2-15(18)13-8-4-6-10-16(13)19-11-12-7-3-5-9-14(12)17/h3-10,15H,2,11,18H2,1H3/t15-/m1/s1
InChIKeyNFLUPXDEKJXODZ-OAHLLOKOSA-N
MW275.78 g/mol
LogP4.33
Rot. Bonds5

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

(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine (PubChem CID 78932396) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
PubChem CID78932396
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-2-15(18)13-8-4-6-10-16(13)19-11-12-7-3-5-9-14(12)17/h3-10,15H,2,11,18H2,1H3/t15-/m1/s1
InChIKeyNFLUPXDEKJXODZ-OAHLLOKOSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 18071110
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
(1S)-1-[2-[(2,3-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 107306815
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
CID 78932860
1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 60879589
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 78932859
1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine
CID 63501481
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine (CID 78932396) is (1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine is CC[C@@H](N)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of (1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is NFLUPXDEKJXODZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-2-15(18)13-8-4-6-10-16(13)19-11-12-7-3-5-9-14(12)17/h3-10,15H,2,11,18H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine?
(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 78932396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).