N,4-diethyl-2-(2-methylphenyl)hexan-1-amine

C17H29N — CID 82929523

IUPACN,4-diethyl-2-(2-methylphenyl)hexan-1-amine
SMILESCCNCC(CC(CC)CC)c1ccccc1C
InChIInChI=1S/C17H29N/c1-5-15(6-2)12-16(13-18-7-3)17-11-9-8-10-14(17)4/h8-11,15-16,18H,5-7,12-13H2,1-4H3
InChIKeyFCQYSSQNJOPJQR-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.51
Rot. Bonds8

About N,4-diethyl-2-(2-methylphenyl)hexan-1-amine

N,4-diethyl-2-(2-methylphenyl)hexan-1-amine (PubChem CID 82929523) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N,4-diethyl-2-(2-methylphenyl)hexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-(2-methylphenyl)hexan-1-amine
PubChem CID82929523
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN,4-diethyl-2-(2-methylphenyl)hexan-1-amine
SMILESCCNCC(CC(CC)CC)c1ccccc1C
InChIInChI=1S/C17H29N/c1-5-15(6-2)12-16(13-18-7-3)17-11-9-8-10-14(17)4/h8-11,15-16,18H,5-7,12-13H2,1-4H3
InChIKeyFCQYSSQNJOPJQR-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(2-methylphenyl)hexan-1-amine
CID 79421796
4-methyl-2-(2-methylphenyl)-N-propylpentan-1-amine
CID 79421664
N-ethyl-3-(4-iodophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79421243
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
N-ethyl-5-ethylsulfonyl-2-(2-methylphenyl)pentan-1-amine
CID 79421716
N-ethyl-2-(2-methylphenyl)-4-phenylsulfanylbutan-1-amine
CID 79423694
2-(2-bromophenyl)-4-ethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930865
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
2-(4-chlorophenyl)-N,4-diethylhexan-1-amine
CID 82930759
N-ethyl-3-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423700
N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423682

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-(2-methylphenyl)hexan-1-amine?
The IUPAC name of N,4-diethyl-2-(2-methylphenyl)hexan-1-amine (CID 82929523) is N,4-diethyl-2-(2-methylphenyl)hexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-(2-methylphenyl)hexan-1-amine?
The canonical SMILES for N,4-diethyl-2-(2-methylphenyl)hexan-1-amine is CCNCC(CC(CC)CC)c1ccccc1C.
What is the InChIKey of N,4-diethyl-2-(2-methylphenyl)hexan-1-amine?
The InChIKey is FCQYSSQNJOPJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-15(6-2)12-16(13-18-7-3)17-11-9-8-10-14(17)4/h8-11,15-16,18H,5-7,12-13H2,1-4H3.
What are the key properties of N,4-diethyl-2-(2-methylphenyl)hexan-1-amine?
N,4-diethyl-2-(2-methylphenyl)hexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-(2-methylphenyl)hexan-1-amine is sourced from PubChem (CID 82929523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).