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

C18H22Cl3NO — CID 17295971

IUPACN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1.Cl
InChIInChI=1S/C18H21Cl2NO.ClH/c1-18(2,3)21-11-13-5-4-6-16(9-13)22-12-14-7-8-15(19)10-17(14)20;/h4-10,21H,11-12H2,1-3H3;1H
InChIKeyJOSUJFRCTIDVLV-UHFFFAOYSA-N
MW374.74 g/mol
LogP5.88
Rot. Bonds5

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

N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 17295971) has the molecular formula C18H22Cl3NO and a molecular weight of 374.74 g/mol. Its IUPAC name is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
PubChem CID17295971
Molecular FormulaC18H22Cl3NO
Molecular Weight374.74 g/mol
Exact Mass373.08
IUPAC NameN-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(C)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1.Cl
InChIInChI=1S/C18H21Cl2NO.ClH/c1-18(2,3)21-11-13-5-4-6-16(9-13)22-12-14-7-8-15(19)10-17(14)20;/h4-10,21H,11-12H2,1-3H3;1H
InChIKeyJOSUJFRCTIDVLV-UHFFFAOYSA-N
XLogP5.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.74
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 4721454
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 4715527
(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726182
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride
CID 17289160
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
CID 4716403
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 4720614
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4718513
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721735
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17209881
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290789

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride (CID 17295971) is N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride is CC(C)(C)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1.Cl.
What is the InChIKey of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is JOSUJFRCTIDVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO.ClH/c1-18(2,3)21-11-13-5-4-6-16(9-13)22-12-14-7-8-15(19)10-17(14)20;/h4-10,21H,11-12H2,1-3H3;1H.
What are the key properties of N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride?
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 374.74 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 17295971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).