N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine

C17H23NO — CID 54884385

IUPACN-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
SMILESCCC(C)C(CNCc1ccco1)c1ccccc1
InChIInChI=1S/C17H23NO/c1-3-14(2)17(15-8-5-4-6-9-15)13-18-12-16-10-7-11-19-16/h4-11,14,17-18H,3,12-13H2,1-2H3
InChIKeyOKAGWAIUMSAFSD-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.20
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine

N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine (PubChem CID 54884385) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
PubChem CID54884385
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
SMILESCCC(C)C(CNCc1ccco1)c1ccccc1
InChIInChI=1S/C17H23NO/c1-3-14(2)17(15-8-5-4-6-9-15)13-18-12-16-10-7-11-19-16/h4-11,14,17-18H,3,12-13H2,1-2H3
InChIKeyOKAGWAIUMSAFSD-UHFFFAOYSA-N
XLogP4.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
N-(furan-2-ylmethyl)-2,2-diphenylethanamine
CID 103603203
1-N-(furan-2-ylmethyl)-3-methylpentane-1,2-diamine
CID 61150352
N-ethyl-3-methyl-2-phenylpentan-1-amine
CID 43163708
N-(2,2-difluoroethyl)-3-methyl-2-phenylpentan-1-amine
CID 113303770
ethyl 3-(furan-2-ylmethylamino)-2-phenylpropanoate
CID 23332336
N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809598
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
2-N-benzyl-2-N-ethyl-1-N-(furan-2-ylmethyl)propane-1,2-diamine
CID 62556964
N-(furan-2-ylmethyl)-2-(2-methylpropoxy)propan-1-amine
CID 62567476
3-(furan-2-ylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol
CID 3063265
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine (CID 54884385) is N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine is CCC(C)C(CNCc1ccco1)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine?
The InChIKey is OKAGWAIUMSAFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-14(2)17(15-8-5-4-6-9-15)13-18-12-16-10-7-11-19-16/h4-11,14,17-18H,3,12-13H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine?
N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine is sourced from PubChem (CID 54884385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).