2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine

C16H26N2O — CID 43270350

IUPAC2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine
SMILESCCCN(C1CC1)C(C)C(N)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O/c1-4-11-18(14-7-8-14)12(2)16(17)13-5-9-15(19-3)10-6-13/h5-6,9-10,12,14,16H,4,7-8,11,17H2,1-3H3
InChIKeyZYIRYNCVGTVZNX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds7

About 2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine

2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine (PubChem CID 43270350) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine
PubChem CID43270350
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine
SMILESCCCN(C1CC1)C(C)C(N)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O/c1-4-11-18(14-7-8-14)12(2)16(17)13-5-9-15(19-3)10-6-13/h5-6,9-10,12,14,16H,4,7-8,11,17H2,1-3H3
InChIKeyZYIRYNCVGTVZNX-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclopropyl-1-(4-ethylphenyl)-2-N-(3-methylbutyl)propane-1,2-diamine
CID 78943985
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
2-N-cyclopropyl-2-N-(3-methylbutyl)-1-(4-methylphenyl)propane-1,2-diamine
CID 78974138
1-(4-methoxyphenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 16781513
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-(4-methoxyphenyl)propane-1,2-diamine
CID 102992432
1-(4-methoxyphenyl)-2-N-methyl-2-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055276
1-(4-bromophenyl)-1-N-cyclopropyl-1-N-propylpropane-1,2-diamine
CID 55016024
1-N-cyclopropyl-1-(4-methoxyphenyl)-1-N-methylbutane-1,2-diamine
CID 55015809
1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 116933980
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79112216
1,4-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
CID 141467393
N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
CID 63300831

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine (CID 43270350) is 2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine is CCCN(C1CC1)C(C)C(N)c1ccc(OC)cc1.
What is the InChIKey of 2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine?
The InChIKey is ZYIRYNCVGTVZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-11-18(14-7-8-14)12(2)16(17)13-5-9-15(19-3)10-6-13/h5-6,9-10,12,14,16H,4,7-8,11,17H2,1-3H3.
What are the key properties of 2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine?
2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-(4-methoxyphenyl)-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 43270350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).