N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine

C13H22N2 — CID 43203951

IUPACN',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)c1ccccc1
InChIInChI=1S/C13H22N2/c1-4-10-14-13(11-15(2)3)12-8-6-5-7-9-12/h5-9,13-14H,4,10-11H2,1-3H3
InChIKeyKJYYRGQRZFJMKJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.29
Rot. Bonds6

About N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine

N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine (PubChem CID 43203951) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
PubChem CID43203951
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)c1ccccc1
InChIInChI=1S/C13H22N2/c1-4-10-14-13(11-15(2)3)12-8-6-5-7-9-12/h5-9,13-14H,4,10-11H2,1-3H3
InChIKeyKJYYRGQRZFJMKJ-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-methylpropyl)-1-phenyl-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63469072
N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 63699477
N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 61324922
N'-ethyl-N'-methyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62611599
N'-(cyclopentylmethyl)-N'-methyl-1-phenyl-N-propylethane-1,2-diamine
CID 63631236
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114521871
N'-cyclohexyl-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63466722
N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63955974
N-butan-2-yl-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43203953
(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine (CID 43203951) is N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine is CCCNC(CN(C)C)c1ccccc1.
What is the InChIKey of N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine?
The InChIKey is KJYYRGQRZFJMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-10-14-13(11-15(2)3)12-8-6-5-7-9-12/h5-9,13-14H,4,10-11H2,1-3H3.
What are the key properties of N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine?
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 43203951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).