N,4-diethyl-2-methyl-1-phenyloctan-1-amine

C19H33N — CID 104845466

IUPACN,4-diethyl-2-methyl-1-phenyloctan-1-amine
SMILESCCCCC(CC)CC(C)C(NCC)c1ccccc1
InChIInChI=1S/C19H33N/c1-5-8-12-17(6-2)15-16(4)19(20-7-3)18-13-10-9-11-14-18/h9-11,13-14,16-17,19-20H,5-8,12,15H2,1-4H3
InChIKeyWMZPBIMWDBHBDG-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.58
Rot. Bonds10

About N,4-diethyl-2-methyl-1-phenyloctan-1-amine

N,4-diethyl-2-methyl-1-phenyloctan-1-amine (PubChem CID 104845466) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N,4-diethyl-2-methyl-1-phenyloctan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-methyl-1-phenyloctan-1-amine
PubChem CID104845466
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN,4-diethyl-2-methyl-1-phenyloctan-1-amine
SMILESCCCCC(CC)CC(C)C(NCC)c1ccccc1
InChIInChI=1S/C19H33N/c1-5-8-12-17(6-2)15-16(4)19(20-7-3)18-13-10-9-11-14-18/h9-11,13-14,16-17,19-20H,5-8,12,15H2,1-4H3
InChIKeyWMZPBIMWDBHBDG-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
2-ethyl-N-(2-methyl-1-phenylpropyl)hexan-1-amine
CID 43767516
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
5-ethyl-3-phenylnonan-1-ol
CID 145204155
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
CID 104845594
N-ethyl-2-(3-methylbutylsulfanyl)-1-phenylbutan-1-amine
CID 107763889
2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine
CID 64676326
2-benzyl-4-ethyl-N-propan-2-yloctan-1-amine
CID 63496720
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
3-(2,3-difluorophenyl)-N-ethyl-2-methyl-1-phenylpropan-1-amine
CID 104845522
2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64609645

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-methyl-1-phenyloctan-1-amine?
The IUPAC name of N,4-diethyl-2-methyl-1-phenyloctan-1-amine (CID 104845466) is N,4-diethyl-2-methyl-1-phenyloctan-1-amine.
What is the SMILES notation for N,4-diethyl-2-methyl-1-phenyloctan-1-amine?
The canonical SMILES for N,4-diethyl-2-methyl-1-phenyloctan-1-amine is CCCCC(CC)CC(C)C(NCC)c1ccccc1.
What is the InChIKey of N,4-diethyl-2-methyl-1-phenyloctan-1-amine?
The InChIKey is WMZPBIMWDBHBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-5-8-12-17(6-2)15-16(4)19(20-7-3)18-13-10-9-11-14-18/h9-11,13-14,16-17,19-20H,5-8,12,15H2,1-4H3.
What are the key properties of N,4-diethyl-2-methyl-1-phenyloctan-1-amine?
N,4-diethyl-2-methyl-1-phenyloctan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.58, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-methyl-1-phenyloctan-1-amine is sourced from PubChem (CID 104845466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).