2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine

C18H31N — CID 107897390

IUPAC2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
SMILESCCCC(C)C(CC)(CNC(C)C)c1ccccc1
InChIInChI=1S/C18H31N/c1-6-11-16(5)18(7-2,14-19-15(3)4)17-12-9-8-10-13-17/h8-10,12-13,15-16,19H,6-7,11,14H2,1-5H3
InChIKeyRNGZPSNCYYKECD-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.77
Rot. Bonds8

About 2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine

2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine (PubChem CID 107897390) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
PubChem CID107897390
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
SMILESCCCC(C)C(CC)(CNC(C)C)c1ccccc1
InChIInChI=1S/C18H31N/c1-6-11-16(5)18(7-2,14-19-15(3)4)17-12-9-8-10-13-17/h8-10,12-13,15-16,19H,6-7,11,14H2,1-5H3
InChIKeyRNGZPSNCYYKECD-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethyl-3-methyl-2-phenylhexyl)cyclopropanamine
CID 107897391
2-phenyl-1-(propan-2-ylamino)pentan-2-ol
CID 62773592
N,3-diethyl-7-methyl-3-phenyloctan-4-amine
CID 63417594
5-ethyl-2-methyl-5-phenyl-N-propylheptan-4-amine
CID 63417732
(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
3-methyl-2-phenylhexan-2-amine
CID 107892285
3-ethyl-7-methyl-3-phenyloctan-4-ol
CID 63414576
(3-ethyl-3-phenyloctan-4-yl)azanium hydroxide
CID 21316151
3-ethyl-3-phenyl-N-propyloct-7-yn-4-amine
CID 63644186
3-ethyl-3-phenyltricosan-4-amine
CID 21316172
3-ethyl-5-methyl-3-phenylheptan-4-amine
CID 79446709
5-ethyl-5-phenyl-N-propylhept-1-yn-4-amine
CID 55180393

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine (CID 107897390) is 2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine is CCCC(C)C(CC)(CNC(C)C)c1ccccc1.
What is the InChIKey of 2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine?
The InChIKey is RNGZPSNCYYKECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-11-16(5)18(7-2,14-19-15(3)4)17-12-9-8-10-13-17/h8-10,12-13,15-16,19H,6-7,11,14H2,1-5H3.
What are the key properties of 2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine?
2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 107897390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).