3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine

C17H29N — CID 63528106

IUPAC3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1C)C(CC)CC
InChIInChI=1S/C17H29N/c1-5-12-18-17(15(6-2)7-3)13-16-11-9-8-10-14(16)4/h8-11,15,17-18H,5-7,12-13H2,1-4H3
InChIKeySYRAFCZKZFLBOF-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.34
Rot. Bonds8

About 3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine

3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine (PubChem CID 63528106) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
PubChem CID63528106
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccccc1C)C(CC)CC
InChIInChI=1S/C17H29N/c1-5-12-18-17(15(6-2)7-3)13-16-11-9-8-10-14(16)4/h8-11,15,17-18H,5-7,12-13H2,1-4H3
InChIKeySYRAFCZKZFLBOF-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116717295
1-(2-methylphenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62473098
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610
3-ethyl-N-propyl-1-quinolin-4-ylpentan-2-amine
CID 104997448
1-(2-chlorophenyl)-N,3-dipropylhexan-2-amine
CID 82986931
N-ethyl-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 60818877
[4-ethyl-1-(2-methylphenyl)hexan-3-yl]hydrazine
CID 105323985
3-methoxy-3-methyl-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116758206
4-benzyl-N-propylhexan-3-amine
CID 79307889
1-(2-methylphenyl)-N-propylhex-4-yn-2-amine
CID 62311593
3-ethyl-3-methoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116761381
N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63415263

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine (CID 63528106) is 3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine is CCCNC(Cc1ccccc1C)C(CC)CC.
What is the InChIKey of 3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine?
The InChIKey is SYRAFCZKZFLBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-12-18-17(15(6-2)7-3)13-16-11-9-8-10-14(16)4/h8-11,15,17-18H,5-7,12-13H2,1-4H3.
What are the key properties of 3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine?
3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 63528106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).