N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine

C18H30N2 — CID 104690764

IUPACN-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
SMILESCCC1CCCCCN1c1ccccc1CNC(C)C
InChIInChI=1S/C18H30N2/c1-4-17-11-6-5-9-13-20(17)18-12-8-7-10-16(18)14-19-15(2)3/h7-8,10,12,15,17,19H,4-6,9,11,13-14H2,1-3H3
InChIKeyKUZDMDBEOFZQOA-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.34
Rot. Bonds5

About N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine

N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 104690764) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
PubChem CID104690764
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine
SMILESCCC1CCCCCN1c1ccccc1CNC(C)C
InChIInChI=1S/C18H30N2/c1-4-17-11-6-5-9-13-20(17)18-12-8-7-10-16(18)14-19-15(2)3/h7-8,10,12,15,17,19H,4-6,9,11,13-14H2,1-3H3
InChIKeyKUZDMDBEOFZQOA-UHFFFAOYSA-N
XLogP4.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313933
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
N-[[2-(2-ethylpyrrolidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54886079
(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690574
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N-[[4-(2-ethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81248517
[2-(2-ethylpyrrolidin-1-yl)phenyl]methanol
CID 60973877
1-[2-[(propan-2-ylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 43281467
N-[[2-(2,4-dimethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 62331056
N-[[6-(2-ethylpiperidin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62278840
2-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanamine
CID 63784557

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine (CID 104690764) is N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine is CCC1CCCCCN1c1ccccc1CNC(C)C.
What is the InChIKey of N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is KUZDMDBEOFZQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-17-11-6-5-9-13-20(17)18-12-8-7-10-16(18)14-19-15(2)3/h7-8,10,12,15,17,19H,4-6,9,11,13-14H2,1-3H3.
What are the key properties of N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine?
N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylazepan-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 104690764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).