N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine

C16H28N2 — CID 782609

IUPACN'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CCN(C)C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H28N2/c1-6-18(12-11-17(4)5)13-15-7-9-16(10-8-15)14(2)3/h7-10,14H,6,11-13H2,1-5H3
InChIKeyXZNDLURXXCFORH-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.19
Rot. Bonds7

About N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine

N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine (PubChem CID 782609) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
PubChem CID782609
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CCN(C)C)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C16H28N2/c1-6-18(12-11-17(4)5)13-15-7-9-16(10-8-15)14(2)3/h7-10,14H,6,11-13H2,1-5H3
InChIKeyXZNDLURXXCFORH-UHFFFAOYSA-N
XLogP3.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 2056892
N,N-diethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 138483696
2-[4-[[2-(dimethylamino)ethyl-propylamino]methyl]phenyl]propanoic acid
CID 105345931
N'-ethyl-N,N-dimethyl-N'-[(4-phenylphenyl)methyl]ethane-1,2-diamine;oxalic acid
CID 6456297
N'-ethyl-N,N-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 102997517
N-benzyl-2-bromo-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80680300
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
N'-[(3-bromo-4-fluorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 2846037
N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine
CID 105346832
N',N'-diethyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17331877
N'-[(3-bromophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 782623
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine (CID 782609) is N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine is CCN(CCN(C)C)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is XZNDLURXXCFORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-18(12-11-17(4)5)13-15-7-9-16(10-8-15)14(2)3/h7-10,14H,6,11-13H2,1-5H3.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine?
N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 782609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).