N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine

C13H22N2 — CID 28607795

IUPACN',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
SMILESC[C@@H](CNCCN(C)C)c1ccccc1
InChIInChI=1S/C13H22N2/c1-12(11-14-9-10-15(2)3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t12-/m0/s1
InChIKeyKCMZESDPERHUMC-LBPRGKRZSA-N
MW206.33 g/mol
LogP1.94
Rot. Bonds6

About N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine

N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine (PubChem CID 28607795) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
PubChem CID28607795
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
SMILESC[C@@H](CNCCN(C)C)c1ccccc1
InChIInChI=1S/C13H22N2/c1-12(11-14-9-10-15(2)3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t12-/m0/s1
InChIKeyKCMZESDPERHUMC-LBPRGKRZSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
N-(3-fluoropropyl)-2-phenylpropan-1-amine
CID 104591480
N-(2,2-diphenylethyl)-N',N'-dimethylpropane-1,3-diamine
CID 103603219
1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea
CID 83116479
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
2-phenyl-N-(2-phenylsulfanylethyl)propan-1-amine
CID 60664680
methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
N-(3-methylsulfanylpropyl)-2-phenylpropan-1-amine
CID 43182086
7-methyl-N-(2-phenylpropyl)octan-1-amine
CID 43081304

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine (CID 28607795) is N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine is C[C@@H](CNCCN(C)C)c1ccccc1.
What is the InChIKey of N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine?
The InChIKey is KCMZESDPERHUMC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(11-14-9-10-15(2)3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine is sourced from PubChem (CID 28607795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).