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

C18H22ClNO — CID 115495018

IUPAC1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO/c1-3-20-14(2)12-15-6-10-18(11-7-15)21-13-16-4-8-17(19)9-5-16/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyMSLIHPIFDCRHKU-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.46
Rot. Bonds7

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

1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine (PubChem CID 115495018) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
PubChem CID115495018
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
SMILESCCNC(C)Cc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H22ClNO/c1-3-20-14(2)12-15-6-10-18(11-7-15)21-13-16-4-8-17(19)9-5-16/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyMSLIHPIFDCRHKU-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
CID 115494944
N-ethyl-1-[4-(3-methylbutoxy)phenyl]propan-2-amine
CID 115494877
N-ethyl-1-(4-prop-2-enoxyphenyl)propan-2-amine
CID 115494903
1-[4-[(3-bromophenyl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115494906
N-ethyl-1-(4-prop-2-ynoxyphenyl)propan-2-amine
CID 115495069
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535
1-(4-chlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 61066271
N-ethyl-1-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]propan-2-amine
CID 115981835
1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 103037894
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-ethylpropan-2-amine
CID 115494866

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine?
The IUPAC name of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine (CID 115495018) is 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine is CCNC(C)Cc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine?
The InChIKey is MSLIHPIFDCRHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-20-14(2)12-15-6-10-18(11-7-15)21-13-16-4-8-17(19)9-5-16/h4-11,14,20H,3,12-13H2,1-2H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine?
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethylpropan-2-amine is sourced from PubChem (CID 115495018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).