N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine

C18H31N — CID 115854389

IUPACN-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine
SMILESCCNC(C(c1ccccc1)C(C)CC)C(C)(C)C
InChIInChI=1S/C18H31N/c1-7-14(3)16(15-12-10-9-11-13-15)17(19-8-2)18(4,5)6/h9-14,16-17,19H,7-8H2,1-6H3
InChIKeyMCTRXYYDSUKZGS-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.84
Rot. Bonds6

About N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine

N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine (PubChem CID 115854389) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine
PubChem CID115854389
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine
SMILESCCNC(C(c1ccccc1)C(C)CC)C(C)(C)C
InChIInChI=1S/C18H31N/c1-7-14(3)16(15-12-10-9-11-13-15)17(19-8-2)18(4,5)6/h9-14,16-17,19H,7-8H2,1-6H3
InChIKeyMCTRXYYDSUKZGS-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
N-ethyl-3,7-dimethyl-4-phenylnonan-5-amine
CID 115846349
N-ethyl-5-methyl-4-phenylhept-1-yn-3-amine
CID 104995781
N-ethyl-3-methyl-2-phenyl-1-thiophen-2-ylpentan-1-amine
CID 43490571
N-ethyl-7-methyl-6-phenylnon-1-en-5-amine
CID 104987637
N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 105029498
N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617594
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-ethyl-3-methyl-1,1-diphenylbutan-2-amine
CID 60817823
N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 43493378
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline
CID 10837600

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine?
The IUPAC name of N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine (CID 115854389) is N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine.
What is the SMILES notation for N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine?
The canonical SMILES for N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine is CCNC(C(c1ccccc1)C(C)CC)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine?
The InChIKey is MCTRXYYDSUKZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-7-14(3)16(15-12-10-9-11-13-15)17(19-8-2)18(4,5)6/h9-14,16-17,19H,7-8H2,1-6H3.
What are the key properties of N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine?
N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine has a molecular weight of 261.45 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine is sourced from PubChem (CID 115854389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).