2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine

C16H28N2O — CID 82107529

IUPAC2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CC(CN)c1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-4-10-18(11-5-2)13-15(12-17)14-6-8-16(19-3)9-7-14/h6-9,15H,4-5,10-13,17H2,1-3H3
InChIKeyHKHJYNIRTLDKTR-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.86
Rot. Bonds9

About 2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine

2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine (PubChem CID 82107529) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
PubChem CID82107529
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
SMILESCCCN(CCC)CC(CN)c1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-4-10-18(11-5-2)13-15(12-17)14-6-8-16(19-3)9-7-14/h6-9,15H,4-5,10-13,17H2,1-3H3
InChIKeyHKHJYNIRTLDKTR-UHFFFAOYSA-N
XLogP2.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 82107707
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
2-(4-methoxyphenyl)pent-4-yn-1-amine
CID 84752978
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
N',N'-dipropyl-2-quinolin-3-ylpropane-1,3-diamine
CID 82107801
1-methoxy-4-nonan-5-ylbenzene
CID 14937032
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
CID 43268541
N',N'-dipropyl-2-thiophen-2-ylpropane-1,3-diamine
CID 82107436

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine?
The IUPAC name of 2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine (CID 82107529) is 2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine is CCCN(CCC)CC(CN)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine?
The InChIKey is HKHJYNIRTLDKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-10-18(11-5-2)13-15(12-17)14-6-8-16(19-3)9-7-14/h6-9,15H,4-5,10-13,17H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine?
2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 82107529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).