N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine

C17H29N — CID 43081080

IUPACN-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine
SMILESCCc1ccc(C(NCCC(C)C)C(C)C)cc1
InChIInChI=1S/C17H29N/c1-6-15-7-9-16(10-8-15)17(14(4)5)18-12-11-13(2)3/h7-10,13-14,17-18H,6,11-12H2,1-5H3
InChIKeyZREYXXLQOGGQKW-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.58
Rot. Bonds7

About N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine

N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine (PubChem CID 43081080) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine
PubChem CID43081080
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine
SMILESCCc1ccc(C(NCCC(C)C)C(C)C)cc1
InChIInChI=1S/C17H29N/c1-6-15-7-9-16(10-8-15)17(14(4)5)18-12-11-13(2)3/h7-10,13-14,17-18H,6,11-12H2,1-5H3
InChIKeyZREYXXLQOGGQKW-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 107444712
N'-[1-(4-ethylphenyl)-2-methylpropyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441233
2-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]phenol
CID 43103836
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 86919174
1-(4-ethylphenyl)-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62654329
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304387
2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 60684128

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine (CID 43081080) is N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine is CCc1ccc(C(NCCC(C)C)C(C)C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine?
The InChIKey is ZREYXXLQOGGQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-15-7-9-16(10-8-15)17(14(4)5)18-12-11-13(2)3/h7-10,13-14,17-18H,6,11-12H2,1-5H3.
What are the key properties of N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine?
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine is sourced from PubChem (CID 43081080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).