N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine

C19H23Cl2NO — CID 17210867

IUPACN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H23Cl2NO/c1-4-19(2,3)22-12-15-11-17(21)9-10-18(15)23-13-14-5-7-16(20)8-6-14/h5-11,22H,4,12-13H2,1-3H3
InChIKeyAOJVZRPUXWAHGR-UHFFFAOYSA-N
MW352.31 g/mol
LogP5.85
Rot. Bonds7

About N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine

N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine (PubChem CID 17210867) has the molecular formula C19H23Cl2NO and a molecular weight of 352.31 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine
PubChem CID17210867
Molecular FormulaC19H23Cl2NO
Molecular Weight352.31 g/mol
Exact Mass351.12
IUPAC NameN-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H23Cl2NO/c1-4-19(2,3)22-12-15-11-17(21)9-10-18(15)23-13-14-5-7-16(20)8-6-14/h5-11,22H,4,12-13H2,1-3H3
InChIKeyAOJVZRPUXWAHGR-UHFFFAOYSA-N
XLogP5.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.31
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 17055769
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17055768
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine
CID 17210747
N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methylbutan-2-amine;hydrochloride
CID 17210770
N-[[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methyl]ethanamine
CID 63500792
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331337
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylbutan-2-amine
CID 115762196
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721823
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126124035
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055704
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17289160
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine (CID 17210867) is N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine?
The InChIKey is AOJVZRPUXWAHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO/c1-4-19(2,3)22-12-15-11-17(21)9-10-18(15)23-13-14-5-7-16(20)8-6-14/h5-11,22H,4,12-13H2,1-3H3.
What are the key properties of N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine?
N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine has a molecular weight of 352.31 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 17210867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).