(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine

C17H29N3O — CID 103433840

IUPAC(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)C2CN(C)CCCN2C)ccc(C)c1C
InChIInChI=1S/C17H29N3O/c1-12-7-8-14(17(21-5)13(12)2)16(18)15-11-19(3)9-6-10-20(15)4/h7-8,15-16H,6,9-11,18H2,1-5H3
InChIKeyQTEZZIHZLAHNDC-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.95
Rot. Bonds3

About (1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine

(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine (PubChem CID 103433840) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is (1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
PubChem CID103433840
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
SMILESCOc1c(C(N)C2CN(C)CCCN2C)ccc(C)c1C
InChIInChI=1S/C17H29N3O/c1-12-7-8-14(17(21-5)13(12)2)16(18)15-11-19(3)9-6-10-20(15)4/h7-8,15-16H,6,9-11,18H2,1-5H3
InChIKeyQTEZZIHZLAHNDC-UHFFFAOYSA-N
XLogP1.95
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylcyclohexyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433606
(2-methoxy-3,4-dimethylphenyl)-(thiolan-3-yl)methanamine
CID 103435508
2,3-dihydro-1H-inden-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433624
(1,4-dimethylpiperazin-2-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 79658920
(1,4-dimethyl-1,4-diazepan-2-yl)-(2-propoxyphenyl)methanamine
CID 104660642
1-(1,4-dimethylpiperazin-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 79663946
(2-methoxy-3,4-dimethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 103435403
1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374270
1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine
CID 114730606
(3-bromo-2,6-difluorophenyl)-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine
CID 106942947
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
1-(1,4-dimethyl-1,4-diazepan-2-yl)-4-methoxybutan-1-amine
CID 114856805

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The IUPAC name of (1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine (CID 103433840) is (1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine.
What is the SMILES notation for (1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The canonical SMILES for (1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine is COc1c(C(N)C2CN(C)CCCN2C)ccc(C)c1C.
What is the InChIKey of (1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
The InChIKey is QTEZZIHZLAHNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12-7-8-14(17(21-5)13(12)2)16(18)15-11-19(3)9-6-10-20(15)4/h7-8,15-16H,6,9-11,18H2,1-5H3.
What are the key properties of (1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine?
(1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine has a molecular weight of 291.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethyl-1,4-diazepan-2-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine is sourced from PubChem (CID 103433840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).