1-[4-(azepan-1-yl)phenyl]ethanamine

C14H22N2 — CID 43188750

IUPAC1-[4-(azepan-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C14H22N2/c1-12(15)13-6-8-14(9-7-13)16-10-4-2-3-5-11-16/h6-9,12H,2-5,10-11,15H2,1H3
InChIKeyXSYACPWXNKULER-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.09
Rot. Bonds2

About 1-[4-(azepan-1-yl)phenyl]ethanamine

1-[4-(azepan-1-yl)phenyl]ethanamine (PubChem CID 43188750) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[4-(azepan-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(azepan-1-yl)phenyl]ethanamine
PubChem CID43188750
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[4-(azepan-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C14H22N2/c1-12(15)13-6-8-14(9-7-13)16-10-4-2-3-5-11-16/h6-9,12H,2-5,10-11,15H2,1H3
InChIKeyXSYACPWXNKULER-UHFFFAOYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
(1S,2R)-1-amino-3-methyl-1-(4-pyrrolidin-1-ylphenyl)butan-2-ol
CID 171272024
1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine
CID 61432785
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 55189063
(S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine
CID 162344345
(R)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine
CID 162344344
(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78936816

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(azepan-1-yl)phenyl]ethanamine (CID 43188750) is 1-[4-(azepan-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(azepan-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(azepan-1-yl)phenyl]ethanamine is CC(N)c1ccc(N2CCCCCC2)cc1.
What is the InChIKey of 1-[4-(azepan-1-yl)phenyl]ethanamine?
The InChIKey is XSYACPWXNKULER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(15)13-6-8-14(9-7-13)16-10-4-2-3-5-11-16/h6-9,12H,2-5,10-11,15H2,1H3.
What are the key properties of 1-[4-(azepan-1-yl)phenyl]ethanamine?
1-[4-(azepan-1-yl)phenyl]ethanamine has a molecular weight of 218.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-1-yl)phenyl]ethanamine is sourced from PubChem (CID 43188750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).