N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride

C19H24Cl3NO — CID 17210398

IUPACN-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)CCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1.Cl
InChIInChI=1S/C19H23Cl2NO.ClH/c1-14(2)9-10-22-12-15-3-7-18(8-4-15)23-13-16-5-6-17(20)11-19(16)21;/h3-8,11,14,22H,9-10,12-13H2,1-2H3;1H
InChIKeyOPLPMLYPNIXBSU-UHFFFAOYSA-N
MW388.77 g/mol
LogP6.13
Rot. Bonds8

About N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride

N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride (PubChem CID 17210398) has the molecular formula C19H24Cl3NO and a molecular weight of 388.77 g/mol. Its IUPAC name is N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride
PubChem CID17210398
Molecular FormulaC19H24Cl3NO
Molecular Weight388.77 g/mol
Exact Mass387.09
IUPAC NameN-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride
SMILESCC(C)CCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1.Cl
InChIInChI=1S/C19H23Cl2NO.ClH/c1-14(2)9-10-22-12-15-3-7-18(8-4-15)23-13-16-5-6-17(20)11-19(16)21;/h3-8,11,14,22H,9-10,12-13H2,1-2H3;1H
InChIKeyOPLPMLYPNIXBSU-UHFFFAOYSA-N
XLogP6.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.77
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214038
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211092
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847795
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine;hydrochloride
CID 17292559
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996850
2-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 66526990
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119576
2-[4-[[2-(2,4-dichlorophenyl)ethylamino]methyl]phenoxy]acetic acid;hydrochloride
CID 17209910
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210404
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724078
N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride (CID 17210398) is N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride is CC(C)CCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1.Cl.
What is the InChIKey of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride?
The InChIKey is OPLPMLYPNIXBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO.ClH/c1-14(2)9-10-22-12-15-3-7-18(8-4-15)23-13-16-5-6-17(20)11-19(16)21;/h3-8,11,14,22H,9-10,12-13H2,1-2H3;1H.
What are the key properties of N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride?
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride has a molecular weight of 388.77 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 17210398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).