N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine

C17H28N2 — CID 43284031

IUPACN-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1N1CCCCCC1
InChIInChI=1S/C17H28N2/c1-3-12-18-15(2)16-10-6-7-11-17(16)19-13-8-4-5-9-14-19/h6-7,10-11,15,18H,3-5,8-9,12-14H2,1-2H3
InChIKeyQXRCRMYHYPHVIU-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.13
Rot. Bonds5

About N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine

N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 43284031) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID43284031
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1N1CCCCCC1
InChIInChI=1S/C17H28N2/c1-3-12-18-15(2)16-10-6-7-11-17(16)19-13-8-4-5-9-14-19/h6-7,10-11,15,18H,3-5,8-9,12-14H2,1-2H3
InChIKeyQXRCRMYHYPHVIU-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43284321
1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
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N-[1-[2-(3,3-dimethoxyazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79678785
N-[1-[2-(4-ethoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 61219586
N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine
CID 106314747
[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626005
N-[1-[2-(2-ethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 43562783
N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine
CID 63409223
N-ethyl-1-[2-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 61419346
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
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CID 28801549

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine (CID 43284031) is N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1N1CCCCCC1.
What is the InChIKey of N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is QXRCRMYHYPHVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-12-18-15(2)16-10-6-7-11-17(16)19-13-8-4-5-9-14-19/h6-7,10-11,15,18H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43284031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).