N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine

C13H22N2O — CID 43136389

IUPACN'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCOc1cccc(N(CCCN)C(C)C)c1
InChIInChI=1S/C13H22N2O/c1-11(2)15(9-5-8-14)12-6-4-7-13(10-12)16-3/h4,6-7,10-11H,5,8-9,14H2,1-3H3
InChIKeyUUQAIYYMRNFTOV-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.26
Rot. Bonds6

About N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine

N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 43136389) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID43136389
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCOc1cccc(N(CCCN)C(C)C)c1
InChIInChI=1S/C13H22N2O/c1-11(2)15(9-5-8-14)12-6-4-7-13(10-12)16-3/h4,6-7,10-11H,5,8-9,14H2,1-3H3
InChIKeyUUQAIYYMRNFTOV-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-methoxyphenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43319003
N-(3-aminopropyl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 28767782
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
N'-(3-methoxyphenyl)-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 64552499
methyl N-(3-aminopropyl)-N-(3-methoxyphenyl)carbamate
CID 43136235
N'-(3-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60877179
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 104606037
1-[3-aminopropyl(tert-butylsulfamoyl)amino]-3-methoxybenzene
CID 114803421
N'-(3-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251850
N'-(3-methoxyphenyl)-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270073
N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 43319153
N-(3-aminopropyl)-N-(3-methoxyphenyl)cyclopentanesulfonamide
CID 105360435

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine (CID 43136389) is N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine is COc1cccc(N(CCCN)C(C)C)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is UUQAIYYMRNFTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)15(9-5-8-14)12-6-4-7-13(10-12)16-3/h4,6-7,10-11H,5,8-9,14H2,1-3H3.
What are the key properties of N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 43136389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).