N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride

C19H25Cl2NO2 — CID 17293993

IUPACN-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
SMILESCCC(C)NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1.Cl
InChIInChI=1S/C19H24ClNO2.ClH/c1-4-14(2)21-12-15-8-9-18(19(11-15)22-3)23-13-16-6-5-7-17(20)10-16;/h5-11,14,21H,4,12-13H2,1-3H3;1H
InChIKeyIMAUQYZGTCAEQR-UHFFFAOYSA-N
MW370.32 g/mol
LogP5.24
Rot. Bonds8

About N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride

N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride (PubChem CID 17293993) has the molecular formula C19H25Cl2NO2 and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
PubChem CID17293993
Molecular FormulaC19H25Cl2NO2
Molecular Weight370.32 g/mol
Exact Mass369.13
IUPAC NameN-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
SMILESCCC(C)NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1.Cl
InChIInChI=1S/C19H24ClNO2.ClH/c1-4-14(2)21-12-15-8-9-18(19(11-15)22-3)23-13-16-6-5-7-17(20)10-16;/h5-11,14,21H,4,12-13H2,1-3H3;1H
InChIKeyIMAUQYZGTCAEQR-UHFFFAOYSA-N
XLogP5.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.32
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291372
(2S)-N-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993520
(2S)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726611
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294378
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211095
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17291399
(2S)-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-2-amine
CID 40726642
1-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-chlorophenyl)methyl]methanamine;hydrochloride
CID 17293750
2-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]acetic acid
CID 66527554
N',N'-dibutyl-N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214711
(2R)-N-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51995336

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride?
The IUPAC name of N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride (CID 17293993) is N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride.
What is the SMILES notation for N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride?
The canonical SMILES for N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride is CCC(C)NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1.Cl.
What is the InChIKey of N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride?
The InChIKey is IMAUQYZGTCAEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2.ClH/c1-4-14(2)21-12-15-8-9-18(19(11-15)22-3)23-13-16-6-5-7-17(20)10-16;/h5-11,14,21H,4,12-13H2,1-3H3;1H.
What are the key properties of N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride?
N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride has a molecular weight of 370.32 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 17293993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).