4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine

C17H30N2O — CID 64708022

IUPAC4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
SMILESCCCNC(C)CC(C)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H30N2O/c1-6-11-18-14(2)12-15(3)19(4)13-16-7-9-17(20-5)10-8-16/h7-10,14-15,18H,6,11-13H2,1-5H3
InChIKeyXDYLOUHPISJMGT-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.29
Rot. Bonds9

About 4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine

4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine (PubChem CID 64708022) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
PubChem CID64708022
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
SMILESCCCNC(C)CC(C)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C17H30N2O/c1-6-11-18-14(2)12-15(3)19(4)13-16-7-9-17(20-5)10-8-16/h7-10,14-15,18H,6,11-13H2,1-5H3
InChIKeyXDYLOUHPISJMGT-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64707610
1-N-butan-2-yl-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62570719
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
1-N-[(4-methoxyphenyl)methyl]-1-N-methyl-2-N-propylbutane-1,2-diamine
CID 62040558
3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226082
N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 43178051
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62554430
(2R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962704
(2S)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 6962702
N-propyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719580
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-2-amine
CID 83188272
3-N-[(4-methoxyphenyl)methyl]-1-N,3-N,2-trimethylbutane-1,3-diamine
CID 79409048

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine (CID 64708022) is 4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine is CCCNC(C)CC(C)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine?
The InChIKey is XDYLOUHPISJMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-11-18-14(2)12-15(3)19(4)13-16-7-9-17(20-5)10-8-16/h7-10,14-15,18H,6,11-13H2,1-5H3.
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine?
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine is sourced from PubChem (CID 64708022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).