4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine

C15H26N2O — CID 116934759

IUPAC4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
SMILESCC(C)Oc1ccc(C(N)CCC(C)(C)N)cc1
InChIInChI=1S/C15H26N2O/c1-11(2)18-13-7-5-12(6-8-13)14(16)9-10-15(3,4)17/h5-8,11,14H,9-10,16-17H2,1-4H3
InChIKeyQVJDHFRRRJEHTM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.99
Rot. Bonds6

About 4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine

4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine (PubChem CID 116934759) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
PubChem CID116934759
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine
SMILESCC(C)Oc1ccc(C(N)CCC(C)(C)N)cc1
InChIInChI=1S/C15H26N2O/c1-11(2)18-13-7-5-12(6-8-13)14(16)9-10-15(3,4)17/h5-8,11,14H,9-10,16-17H2,1-4H3
InChIKeyQVJDHFRRRJEHTM-UHFFFAOYSA-N
XLogP2.99
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
(1R)-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171210758
N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 116933874
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171250029
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine
CID 117032627
4,4-dimethyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 112508783
1-amino-2-methyl-1-(4-propan-2-yloxyphenyl)propan-2-ol
CID 116942097

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine?
The IUPAC name of 4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine (CID 116934759) is 4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine.
What is the SMILES notation for 4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine?
The canonical SMILES for 4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine is CC(C)Oc1ccc(C(N)CCC(C)(C)N)cc1.
What is the InChIKey of 4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine?
The InChIKey is QVJDHFRRRJEHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)18-13-7-5-12(6-8-13)14(16)9-10-15(3,4)17/h5-8,11,14H,9-10,16-17H2,1-4H3.
What are the key properties of 4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine?
4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propan-2-yloxyphenyl)pentane-1,4-diamine is sourced from PubChem (CID 116934759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).