2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine

C16H28N2O2 — CID 83931979

IUPAC2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
SMILESCCCOc1ccc(CC(CN)CN)cc1OCCC
InChIInChI=1S/C16H28N2O2/c1-3-7-19-15-6-5-13(9-14(11-17)12-18)10-16(15)20-8-4-2/h5-6,10,14H,3-4,7-9,11-12,17-18H2,1-2H3
InChIKeyVPBKQQDMJTVRDT-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.34
Rot. Bonds10

About 2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine

2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine (PubChem CID 83931979) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
PubChem CID83931979
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine
SMILESCCCOc1ccc(CC(CN)CN)cc1OCCC
InChIInChI=1S/C16H28N2O2/c1-3-7-19-15-6-5-13(9-14(11-17)12-18)10-16(15)20-8-4-2/h5-6,10,14H,3-4,7-9,11-12,17-18H2,1-2H3
InChIKeyVPBKQQDMJTVRDT-UHFFFAOYSA-N
XLogP2.34
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
CID 83931978
1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
CID 82161162
4-(2-methylbut-3-ynyl)-1,2-dipropoxybenzene
CID 83932021
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 112538891
2-(3,5-dimethylphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83977047
2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
CID 170879715
2-(4-methoxy-3-methylphenyl)-3-(3-methoxy-4-propoxyphenyl)propan-1-amine
CID 83974029
5-(3,4-dipropoxyphenyl)-4-methylpentan-2-one
CID 83931996
4-(3,4-dipropoxyphenyl)-2,2-dimethylbutan-1-amine
CID 65301015
2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83972587
2-[2-(3-tert-butyl-4-propoxyphenyl)ethyl]propane-1,3-diamine
CID 83934434

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine?
The IUPAC name of 2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine (CID 83931979) is 2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine is CCCOc1ccc(CC(CN)CN)cc1OCCC.
What is the InChIKey of 2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine?
The InChIKey is VPBKQQDMJTVRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-7-19-15-6-5-13(9-14(11-17)12-18)10-16(15)20-8-4-2/h5-6,10,14H,3-4,7-9,11-12,17-18H2,1-2H3.
What are the key properties of 2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine?
2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dipropoxyphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 83931979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).