N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C15H27N3 — CID 78935470

IUPACN'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccccc1[C@H](C)N
InChIInChI=1S/C15H27N3/c1-5-10-18(12-11-17(3)4)15-9-7-6-8-14(15)13(2)16/h6-9,13H,5,10-12,16H2,1-4H3/t13-/m0/s1
InChIKeyZWUJPUSGSZEZEO-ZDUSSCGKSA-N
MW249.40 g/mol
LogP2.48
Rot. Bonds7

About N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 78935470) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID78935470
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccccc1[C@H](C)N
InChIInChI=1S/C15H27N3/c1-5-10-18(12-11-17(3)4)15-9-7-6-8-14(15)13(2)16/h6-9,13H,5,10-12,16H2,1-4H3/t13-/m0/s1
InChIKeyZWUJPUSGSZEZEO-ZDUSSCGKSA-N
XLogP2.48
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2-aminopropyl)phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 55236815
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
N'-[2-[(1R)-1-aminoethyl]-4-fluorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63368901
2-(1-aminoethyl)-N-propan-2-yl-N-propylaniline
CID 43269689
N'-[2-(1-aminopropyl)phenyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 115995090
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909
(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371248
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
CID 78935741
N'-[2-(2-aminopropyl)-3-chlorophenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63816000
1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
CID 112678854
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 78935470) is N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1ccccc1[C@H](C)N.
What is the InChIKey of N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is ZWUJPUSGSZEZEO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-10-18(12-11-17(3)4)15-9-7-6-8-14(15)13(2)16/h6-9,13H,5,10-12,16H2,1-4H3/t13-/m0/s1.
What are the key properties of N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 78935470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).