N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine

C18H22ClNO — CID 63552751

IUPACN-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(Cl)ccc1Oc1ccc(CNC(C)C)cc1C
InChIInChI=1S/C18H22ClNO/c1-12(2)20-11-15-5-7-17(13(3)9-15)21-18-8-6-16(19)10-14(18)4/h5-10,12,20H,11H2,1-4H3
InChIKeyLPCRYCUMMBKRSF-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.25
Rot. Bonds5

About N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine

N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 63552751) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
PubChem CID63552751
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(Cl)ccc1Oc1ccc(CNC(C)C)cc1C
InChIInChI=1S/C18H22ClNO/c1-12(2)20-11-15-5-7-17(13(3)9-15)21-18-8-6-16(19)10-14(18)4/h5-10,12,20H,11H2,1-4H3
InChIKeyLPCRYCUMMBKRSF-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724
N-[[3-(2,4-dimethylphenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406580
N-[[4-(3-bromo-4-fluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 83233350
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 81154995
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
N-[[3-(3,5-dichlorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105407067
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489168
N-[[4-(2-chloro-5-methylphenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 43283818
N-[[3-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107659648
N-[[3-chloro-4-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107169860
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)phenyl]methyl]propan-2-amine
CID 114857479

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine (CID 63552751) is N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine is Cc1cc(Cl)ccc1Oc1ccc(CNC(C)C)cc1C.
What is the InChIKey of N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is LPCRYCUMMBKRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12(2)20-11-15-5-7-17(13(3)9-15)21-18-8-6-16(19)10-14(18)4/h5-10,12,20H,11H2,1-4H3.
What are the key properties of N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 63552751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).