N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine

C17H29N — CID 55027033

IUPACN-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCc1cccc(C)c1C
InChIInChI=1S/C17H29N/c1-5-7-10-16(6-2)12-18-13-17-11-8-9-14(3)15(17)4/h8-9,11,16,18H,5-7,10,12-13H2,1-4H3
InChIKeyRNEBPEMHAYDXEV-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.61
Rot. Bonds8

About N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine

N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine (PubChem CID 55027033) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine
PubChem CID55027033
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCc1cccc(C)c1C
InChIInChI=1S/C17H29N/c1-5-7-10-16(6-2)12-18-13-17-11-8-9-14(3)15(17)4/h8-9,11,16,18H,5-7,10,12-13H2,1-4H3
InChIKeyRNEBPEMHAYDXEV-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
3-ethyl-N-[(2-methylphenyl)methyl]heptan-1-amine
CID 142055976
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 62323894
2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine
CID 114053767
1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea
CID 129089188
N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine
CID 107815849
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
CID 79578441
3-chloro-2-[(2-ethylhexylamino)methyl]phenol
CID 113276487
(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136701807

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine (CID 55027033) is N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine is CCCCC(CC)CNCc1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine?
The InChIKey is RNEBPEMHAYDXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-7-10-16(6-2)12-18-13-17-11-8-9-14(3)15(17)4/h8-9,11,16,18H,5-7,10,12-13H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine?
N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 55027033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).