N-(furan-2-ylmethyl)-4-phenylbutan-2-amine

C15H19NO — CID 3156796

IUPACN-(furan-2-ylmethyl)-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccco1
InChIInChI=1S/C15H19NO/c1-13(16-12-15-8-5-11-17-15)9-10-14-6-3-2-4-7-14/h2-8,11,13,16H,9-10,12H2,1H3
InChIKeyKLUGZGBLGYALPG-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.39
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-phenylbutan-2-amine

N-(furan-2-ylmethyl)-4-phenylbutan-2-amine (PubChem CID 3156796) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-phenylbutan-2-amine
PubChem CID3156796
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-(furan-2-ylmethyl)-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccco1
InChIInChI=1S/C15H19NO/c1-13(16-12-15-8-5-11-17-15)9-10-14-6-3-2-4-7-14/h2-8,11,13,16H,9-10,12H2,1H3
InChIKeyKLUGZGBLGYALPG-UHFFFAOYSA-N
XLogP3.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(5-methylfuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 40725603
N-[(4,5-dibromofuran-2-yl)methyl]-4-phenylbutan-2-amine
CID 62084806
2-[4-[[4-(furan-2-yl)butan-2-ylamino]methyl]phenyl]acetic acid
CID 103246843
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 43769805
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)propan-2-amine
CID 115634120
2-[[4-(furan-2-yl)butan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77032802

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-phenylbutan-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-phenylbutan-2-amine (CID 3156796) is N-(furan-2-ylmethyl)-4-phenylbutan-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-phenylbutan-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-phenylbutan-2-amine?
The InChIKey is KLUGZGBLGYALPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-13(16-12-15-8-5-11-17-15)9-10-14-6-3-2-4-7-14/h2-8,11,13,16H,9-10,12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-4-phenylbutan-2-amine?
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine has a molecular weight of 229.32 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 3156796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).