5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine

C15H26N2O — CID 103391713

IUPAC5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)N(C)Cc1ccccc1C
InChIInChI=1S/C15H26N2O/c1-13-7-4-5-8-14(13)11-17(2)15(12-18-3)9-6-10-16/h4-5,7-8,15H,6,9-12,16H2,1-3H3
InChIKeyXZBBOPYJEIVPFS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.18
Rot. Bonds8

About 5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine

5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine (PubChem CID 103391713) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
PubChem CID103391713
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)N(C)Cc1ccccc1C
InChIInChI=1S/C15H26N2O/c1-13-7-4-5-8-14(13)11-17(2)15(12-18-3)9-6-10-16/h4-5,7-8,15H,6,9-12,16H2,1-3H3
InChIKeyXZBBOPYJEIVPFS-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391761
5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391759
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine
CID 103391726
3-N-methyl-3-N-[(2-methylphenyl)methyl]butane-2,3-diamine
CID 61411459
2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide
CID 103391695
N'-[(2-methylphenyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 43137393
tert-butyl N-[4-amino-3-[methyl-[(2-methylphenyl)methyl]amino]butyl]carbamate
CID 102729680
4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-2,4-diamine
CID 64706789
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420280
5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 103391921
N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 28770933

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine (CID 103391713) is 5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine is COCC(CCCN)N(C)Cc1ccccc1C.
What is the InChIKey of 5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine?
The InChIKey is XZBBOPYJEIVPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13-7-4-5-8-14(13)11-17(2)15(12-18-3)9-6-10-16/h4-5,7-8,15H,6,9-12,16H2,1-3H3.
What are the key properties of 5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine?
5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 103391713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).