1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine

C18H22ClNO — CID 63500455

IUPAC1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-3-18(20-4-2)14-9-11-16(12-10-14)21-13-15-7-5-6-8-17(15)19/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyFBGQZFFJTJTBTE-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.98
Rot. Bonds7

About 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine

1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine (PubChem CID 63500455) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine
PubChem CID63500455
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(OCc2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-3-18(20-4-2)14-9-11-16(12-10-14)21-13-15-7-5-6-8-17(15)19/h5-12,18,20H,3-4,13H2,1-2H3
InChIKeyFBGQZFFJTJTBTE-UHFFFAOYSA-N
XLogP4.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 43285011
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
4-[(2-chlorophenyl)methoxy]-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 28574896
1-[4-[(2-chlorophenyl)methoxy]phenyl]ethanamine
CID 43189009
(2S)-N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726660
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717043
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
CID 43280157
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
3-[(2-chlorophenyl)methoxy]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132659858
N-[4-[(2R)-butan-2-yl]phenyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 8814272
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 63500625

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine (CID 63500455) is 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(OCc2ccccc2Cl)cc1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine?
The InChIKey is FBGQZFFJTJTBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-18(20-4-2)14-9-11-16(12-10-14)21-13-15-7-5-6-8-17(15)19/h5-12,18,20H,3-4,13H2,1-2H3.
What are the key properties of 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine?
1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methoxy]phenyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 63500455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).