3-ethyl-5-methyl-3-phenylheptan-4-amine

C16H27N — CID 79446709

IUPAC3-ethyl-5-methyl-3-phenylheptan-4-amine
SMILESCCC(C)C(N)C(CC)(CC)c1ccccc1
InChIInChI=1S/C16H27N/c1-5-13(4)15(17)16(6-2,7-3)14-11-9-8-10-12-14/h8-13,15H,5-7,17H2,1-4H3
InChIKeyAJTXSOPLMGQROO-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.12
Rot. Bonds6

About 3-ethyl-5-methyl-3-phenylheptan-4-amine

3-ethyl-5-methyl-3-phenylheptan-4-amine (PubChem CID 79446709) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-ethyl-5-methyl-3-phenylheptan-4-amine.

Molecular Properties

Compound Name3-ethyl-5-methyl-3-phenylheptan-4-amine
PubChem CID79446709
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-ethyl-5-methyl-3-phenylheptan-4-amine
SMILESCCC(C)C(N)C(CC)(CC)c1ccccc1
InChIInChI=1S/C16H27N/c1-5-13(4)15(17)16(6-2,7-3)14-11-9-8-10-12-14/h8-13,15H,5-7,17H2,1-4H3
InChIKeyAJTXSOPLMGQROO-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-ethyl-3-phenylpentan-2-amine
CID 64712581
1-ethoxy-4-ethyl-4-phenylhexan-3-amine
CID 114992855
4-amino-3-ethyl-3-phenylhexanoic acid
CID 66096689
5-ethyl-1,1,1-trifluoro-5-phenylheptan-4-amine
CID 64564957
(3,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 154351099
2-ethyl-1-(4-ethylphenyl)-2-phenylbutan-1-amine
CID 63417946
3-ethyl-3-phenyltricosan-4-amine
CID 21316172
1-(2-chlorophenyl)-2-ethyl-2-phenylbutan-1-amine
CID 63418123
2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine
CID 63082381
3-ethyl-3-phenylheptadecan-4-amine;hydrochloride
CID 173450724
1-cyclohexyl-2-ethyl-2-phenylbutan-1-amine
CID 63418081
3-ethyl-7-methyl-3-phenyloctan-4-ol
CID 63414576

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-3-phenylheptan-4-amine?
The IUPAC name of 3-ethyl-5-methyl-3-phenylheptan-4-amine (CID 79446709) is 3-ethyl-5-methyl-3-phenylheptan-4-amine.
What is the SMILES notation for 3-ethyl-5-methyl-3-phenylheptan-4-amine?
The canonical SMILES for 3-ethyl-5-methyl-3-phenylheptan-4-amine is CCC(C)C(N)C(CC)(CC)c1ccccc1.
What is the InChIKey of 3-ethyl-5-methyl-3-phenylheptan-4-amine?
The InChIKey is AJTXSOPLMGQROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-13(4)15(17)16(6-2,7-3)14-11-9-8-10-12-14/h8-13,15H,5-7,17H2,1-4H3.
What are the key properties of 3-ethyl-5-methyl-3-phenylheptan-4-amine?
3-ethyl-5-methyl-3-phenylheptan-4-amine has a molecular weight of 233.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-3-phenylheptan-4-amine is sourced from PubChem (CID 79446709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).