(2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine

C14H24N2 — CID 58598101

IUPAC(2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)N[C@@H](Cc1ccccc1)CN(C)C
InChIInChI=1S/C14H24N2/c1-12(2)15-14(11-16(3)4)10-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3/t14-/m0/s1
InChIKeyFXWUUSRUFHBYBN-AWEZNQCLSA-N
MW220.36 g/mol
LogP2.16
Rot. Bonds6

About (2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine

(2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 58598101) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID58598101
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCC(C)N[C@@H](Cc1ccccc1)CN(C)C
InChIInChI=1S/C14H24N2/c1-12(2)15-14(11-16(3)4)10-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3/t14-/m0/s1
InChIKeyFXWUUSRUFHBYBN-AWEZNQCLSA-N
XLogP2.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 146198443
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
1-N-(2-chlorophenyl)-3-phenyl-2-N-propan-2-yl-1-N-pyridin-4-ylpropane-1,2-diamine
CID 57274190
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine
CID 173184821
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
CID 142063959
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
2-benzyl-N',N'-dimethylpropane-1,3-diamine
CID 23008665
1-N,1-N-dimethyl-3-N-(1-phenylpropan-2-yl)butane-1,3-diamine
CID 114992039
4-amino-N-[1-(dimethylamino)-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 117067649

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of (2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine (CID 58598101) is (2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for (2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for (2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine is CC(C)N[C@@H](Cc1ccccc1)CN(C)C.
What is the InChIKey of (2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is FXWUUSRUFHBYBN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N2/c1-12(2)15-14(11-16(3)4)10-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine?
(2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,1-N-dimethyl-3-phenyl-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 58598101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).