N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine

C19H24ClNO — CID 54803306

IUPACN-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine
SMILESCC(CNCc1ccccc1Cl)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C19H24ClNO/c1-14(2)16-8-10-18(11-9-16)22-15(3)12-21-13-17-6-4-5-7-19(17)20/h4-11,14-15,21H,12-13H2,1-3H3
InChIKeyIUXUJTBUPVDWNT-UHFFFAOYSA-N
MW317.86 g/mol
LogP5.02
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine

N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine (PubChem CID 54803306) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine
PubChem CID54803306
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine
SMILESCC(CNCc1ccccc1Cl)Oc1ccc(C(C)C)cc1
InChIInChI=1S/C19H24ClNO/c1-14(2)16-8-10-18(11-9-16)22-15(3)12-21-13-17-6-4-5-7-19(17)20/h4-11,14-15,21H,12-13H2,1-3H3
InChIKeyIUXUJTBUPVDWNT-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.86
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol
CID 60896560
N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107875777
methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 93035184
methyl 3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 43398429
1-(4-chlorophenoxy)-3-[(2-chlorophenyl)methylamino]propan-2-ol
CID 60635463
N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 92927976
N'-[(2-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine
CID 110826595
methyl 2-chloro-3-[(2-chlorophenyl)methylamino]propanoate
CID 103491926
N',N'-diethyl-N-[2-(4-propan-2-ylphenoxy)propyl]ethane-1,2-diamine
CID 54803489
3-[(2-chlorophenyl)methylamino]propane-1,2-diol
CID 57229220
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)propan-1-amine
CID 54855520
N-[[3-chloro-2-(1-phenylethoxy)phenyl]methyl]propan-1-amine
CID 115953077

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine (CID 54803306) is N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine is CC(CNCc1ccccc1Cl)Oc1ccc(C(C)C)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine?
The InChIKey is IUXUJTBUPVDWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-14(2)16-8-10-18(11-9-16)22-15(3)12-21-13-17-6-4-5-7-19(17)20/h4-11,14-15,21H,12-13H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine?
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine has a molecular weight of 317.86 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine is sourced from PubChem (CID 54803306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).