N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine

C18H24N2O — CID 62630979

IUPACN'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
SMILESCOc1ccc(N(C)CCC(N)c2ccccc2C)cc1
InChIInChI=1S/C18H24N2O/c1-14-6-4-5-7-17(14)18(19)12-13-20(2)15-8-10-16(21-3)11-9-15/h4-11,18H,12-13,19H2,1-3H3
InChIKeySYYOMNOVLLSOMB-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.53
Rot. Bonds6

About N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine

N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine (PubChem CID 62630979) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
PubChem CID62630979
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
SMILESCOc1ccc(N(C)CCC(N)c2ccccc2C)cc1
InChIInChI=1S/C18H24N2O/c1-14-6-4-5-7-17(14)18(19)12-13-20(2)15-8-10-16(21-3)11-9-15/h4-11,18H,12-13,19H2,1-3H3
InChIKeySYYOMNOVLLSOMB-UHFFFAOYSA-N
XLogP3.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62644528
1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62630981
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
1-(2-methylphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 55098115
4-(4-methoxy-N-methylanilino)-2-methylbutanoic acid
CID 115220604
4-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]phenol
CID 62630585
(4-methoxyphenyl)-(2-methylphenyl)methanamine
CID 24688459
1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine
CID 115199231
N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine
CID 65488249
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-1-(2-methylphenyl)propane-1,3-diamine
CID 62628932
N'-(3-methoxyphenyl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618937

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine (CID 62630979) is N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine is COc1ccc(N(C)CCC(N)c2ccccc2C)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine?
The InChIKey is SYYOMNOVLLSOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-6-4-5-7-17(14)18(19)12-13-20(2)15-8-10-16(21-3)11-9-15/h4-11,18H,12-13,19H2,1-3H3.
What are the key properties of N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine?
N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 62630979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).