(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine

C14H24N2 — CID 95443981

IUPAC(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
SMILESCC(C)Cc1ccc([C@@H](CN)N(C)C)cc1
InChIInChI=1S/C14H24N2/c1-11(2)9-12-5-7-13(8-6-12)14(10-15)16(3)4/h5-8,11,14H,9-10,15H2,1-4H3/t14-/m1/s1
InChIKeyUJMFIEQKFTVCQD-CQSZACIVSA-N
MW220.36 g/mol
LogP2.45
Rot. Bonds5

About (1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine

(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine (PubChem CID 95443981) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
PubChem CID95443981
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
SMILESCC(C)Cc1ccc([C@@H](CN)N(C)C)cc1
InChIInChI=1S/C14H24N2/c1-11(2)9-12-5-7-13(8-6-12)14(10-15)16(3)4/h5-8,11,14H,9-10,15H2,1-4H3/t14-/m1/s1
InChIKeyUJMFIEQKFTVCQD-CQSZACIVSA-N
XLogP2.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine
CID 116904791
3-chloro-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 116907540
3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 116911685
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
1-[1-(aminomethyl)cyclopropyl]-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 116912250
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine
CID 116651242
(1R)-1-(3,4-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 93279766
1-[4-(difluoromethoxy)phenyl]-N,N-dimethylethane-1,2-diamine
CID 16793435
N,N-dimethyl-1-(4-phenylsulfanylphenyl)ethane-1,2-diamine
CID 155070359
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The IUPAC name of (1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine (CID 95443981) is (1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for (1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for (1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine is CC(C)Cc1ccc([C@@H](CN)N(C)C)cc1.
What is the InChIKey of (1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The InChIKey is UJMFIEQKFTVCQD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)9-12-5-7-13(8-6-12)14(10-15)16(3)4/h5-8,11,14H,9-10,15H2,1-4H3/t14-/m1/s1.
What are the key properties of (1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 95443981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).