1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine

C17H19Cl2NO — CID 63421756

IUPAC1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine
SMILESCc1ccc(COc2c(Cl)cc(Cl)cc2CC(C)N)cc1
InChIInChI=1S/C17H19Cl2NO/c1-11-3-5-13(6-4-11)10-21-17-14(7-12(2)20)8-15(18)9-16(17)19/h3-6,8-9,12H,7,10,20H2,1-2H3
InChIKeySJFHJGLNRFKDGD-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.77
Rot. Bonds5

About 1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine

1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine (PubChem CID 63421756) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine
PubChem CID63421756
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine
SMILESCc1ccc(COc2c(Cl)cc(Cl)cc2CC(C)N)cc1
InChIInChI=1S/C17H19Cl2NO/c1-11-3-5-13(6-4-11)10-21-17-14(7-12(2)20)8-15(18)9-16(17)19/h3-6,8-9,12H,7,10,20H2,1-2H3
InChIKeySJFHJGLNRFKDGD-UHFFFAOYSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156494
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 35697855
(1S)-N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 35697732
1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 35697832
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 35697968
1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene
CID 63535878
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine
CID 114476284

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine (CID 63421756) is 1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine is Cc1ccc(COc2c(Cl)cc(Cl)cc2CC(C)N)cc1.
What is the InChIKey of 1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is SJFHJGLNRFKDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-11-3-5-13(6-4-11)10-21-17-14(7-12(2)20)8-15(18)9-16(17)19/h3-6,8-9,12H,7,10,20H2,1-2H3.
What are the key properties of 1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine?
1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 324.25 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 63421756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).