2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine

C15H25N3 — CID 43211438

IUPAC2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CN2CCCN(C)CC2)cc1
InChIInChI=1S/C15H25N3/c1-13-4-6-14(7-5-13)15(16)12-18-9-3-8-17(2)10-11-18/h4-7,15H,3,8-12,16H2,1-2H3
InChIKeyHNMLHPYFZUKNNZ-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.63
Rot. Bonds3

About 2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine

2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine (PubChem CID 43211438) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
PubChem CID43211438
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)CN2CCCN(C)CC2)cc1
InChIInChI=1S/C15H25N3/c1-13-4-6-14(7-5-13)15(16)12-18-9-3-8-17(2)10-11-18/h4-7,15H,3,8-12,16H2,1-2H3
InChIKeyHNMLHPYFZUKNNZ-UHFFFAOYSA-N
XLogP1.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 62618540
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
1-(4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 62992058
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
1-(4-methylphenyl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62778017
1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 106313009
1-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517
2-(azetidin-1-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 175078061
(1R)-1-[4-(2-methylbutoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 67430850
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
CID 16643571

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine (CID 43211438) is 2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(N)CN2CCCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine?
The InChIKey is HNMLHPYFZUKNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13-4-6-14(7-5-13)15(16)12-18-9-3-8-17(2)10-11-18/h4-7,15H,3,8-12,16H2,1-2H3.
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine?
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine has a molecular weight of 247.39 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 43211438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).