N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine

C17H20ClNO — CID 63553296

IUPACN-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO/c1-13(2)11-19-12-14-3-7-16(8-4-14)20-17-9-5-15(18)6-10-17/h3-10,13,19H,11-12H2,1-2H3
InChIKeyYTFIBUZPQYSZFM-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.88
Rot. Bonds6

About N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63553296) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63553296
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO/c1-13(2)11-19-12-14-3-7-16(8-4-14)20-17-9-5-15(18)6-10-17/h3-10,13,19H,11-12H2,1-2H3
InChIKeyYTFIBUZPQYSZFM-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432
N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552535
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 40761793
N-[[6-(4-chlorophenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 66450622
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395
N-[[2-[(4-chlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 62757153

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 63553296) is N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is YTFIBUZPQYSZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(2)11-19-12-14-3-7-16(8-4-14)20-17-9-5-15(18)6-10-17/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63553296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).