N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine

C17H30N2O — CID 54809461

IUPACN-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-5-12-19(13-6-2)14-11-18-16-7-9-17(10-8-16)20-15(3)4/h7-10,15,18H,5-6,11-14H2,1-4H3
InChIKeyJDOJIHVOXWTUAB-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.01
Rot. Bonds10

About N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine

N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine (PubChem CID 54809461) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine
PubChem CID54809461
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-5-12-19(13-6-2)14-11-18-16-7-9-17(10-8-16)20-15(3)4/h7-10,15,18H,5-6,11-14H2,1-4H3
InChIKeyJDOJIHVOXWTUAB-UHFFFAOYSA-N
XLogP4.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine
CID 54809733
4-propan-2-yloxy-N-(2-propylsulfonylethyl)aniline
CID 106723145
2,2-dimethyl-4-(4-propan-2-yloxyanilino)butanenitrile
CID 65249328
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
3-[[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]-propylamino]propanoic acid
CID 110830650
N-butyl-4-(difluoromethoxy)aniline
CID 28623906
N-(4-methylsulfanylbutyl)-4-propan-2-yloxyaniline
CID 103087329
1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 109493997
N-[4-(butylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112980319
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
N-(2-tert-butylsulfonylethyl)-4-propan-2-yloxyaniline
CID 106723144
4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
CID 60863119

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine (CID 54809461) is N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CCNc1ccc(OC(C)C)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine?
The InChIKey is JDOJIHVOXWTUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-12-19(13-6-2)14-11-18-16-7-9-17(10-8-16)20-15(3)4/h7-10,15,18H,5-6,11-14H2,1-4H3.
What are the key properties of N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine?
N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-N',N'-dipropylethane-1,2-diamine is sourced from PubChem (CID 54809461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).