2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine

C19H26N2O — CID 131938718

IUPAC2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine
SMILESc1ccc(C(CNCc2ccoc2)N2CCCCCC2)cc1
InChIInChI=1S/C19H26N2O/c1-2-7-12-21(11-6-1)19(18-8-4-3-5-9-18)15-20-14-17-10-13-22-16-17/h3-5,8-10,13,16,19-20H,1-2,6-7,11-12,14-15H2
InChIKeyCSRIVLFBJSPCPR-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.99
Rot. Bonds6

About 2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine

2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine (PubChem CID 131938718) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine
PubChem CID131938718
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine
SMILESc1ccc(C(CNCc2ccoc2)N2CCCCCC2)cc1
InChIInChI=1S/C19H26N2O/c1-2-7-12-21(11-6-1)19(18-8-4-3-5-9-18)15-20-14-17-10-13-22-16-17/h3-5,8-10,13,16,19-20H,1-2,6-7,11-12,14-15H2
InChIKeyCSRIVLFBJSPCPR-UHFFFAOYSA-N
XLogP3.99
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875
N-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 86918988
N-[(3-bromophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854274
3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82045257
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854273
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
2-phenyl-2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60696393
N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-2-piperidin-1-ylethanamine
CID 110826503
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
1-[(1R)-1-phenylpropyl]azepane
CID 97315480

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine?
The IUPAC name of 2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine (CID 131938718) is 2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine?
The canonical SMILES for 2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine is c1ccc(C(CNCc2ccoc2)N2CCCCCC2)cc1.
What is the InChIKey of 2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine?
The InChIKey is CSRIVLFBJSPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-7-12-21(11-6-1)19(18-8-4-3-5-9-18)15-20-14-17-10-13-22-16-17/h3-5,8-10,13,16,19-20H,1-2,6-7,11-12,14-15H2.
What are the key properties of 2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine?
2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine has a molecular weight of 298.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(furan-3-ylmethyl)-2-phenylethanamine is sourced from PubChem (CID 131938718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).