N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine

C19H27NO — CID 105029498

IUPACN-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine
SMILESCCNC(Cc1ccco1)C(c1ccccc1)C(C)CC
InChIInChI=1S/C19H27NO/c1-4-15(3)19(16-10-7-6-8-11-16)18(20-5-2)14-17-12-9-13-21-17/h6-13,15,18-20H,4-5,14H2,1-3H3
InChIKeyKJBITWYUBCCADJ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.63
Rot. Bonds8

About N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine

N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine (PubChem CID 105029498) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine
PubChem CID105029498
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine
SMILESCCNC(Cc1ccco1)C(c1ccccc1)C(C)CC
InChIInChI=1S/C19H27NO/c1-4-15(3)19(16-10-7-6-8-11-16)18(20-5-2)14-17-12-9-13-21-17/h6-13,15,18-20H,4-5,14H2,1-3H3
InChIKeyKJBITWYUBCCADJ-UHFFFAOYSA-N
XLogP4.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine
CID 63561552
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CID 43489095
N-ethyl-1-(furan-2-yl)-4-methylhexan-3-amine
CID 105170422
N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
CID 62999037
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531
N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine
CID 43493378
N-ethyl-7-methyl-6-phenylnon-1-en-5-amine
CID 104987637
3-(furan-2-yl)-1-methoxy-1-phenyl-N-propylpropan-2-amine
CID 116773231
1-(furan-2-yl)-3-methyl-2-phenylpentan-1-ol
CID 115797403
N-ethyl-2,2,5-trimethyl-4-phenylheptan-3-amine
CID 115854389
N-(furan-2-ylmethyl)-3-methyl-2-phenylpentan-1-amine
CID 54884385

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine?
The IUPAC name of N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine (CID 105029498) is N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine.
What is the SMILES notation for N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine?
The canonical SMILES for N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine is CCNC(Cc1ccco1)C(c1ccccc1)C(C)CC.
What is the InChIKey of N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine?
The InChIKey is KJBITWYUBCCADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-4-15(3)19(16-10-7-6-8-11-16)18(20-5-2)14-17-12-9-13-21-17/h6-13,15,18-20H,4-5,14H2,1-3H3.
What are the key properties of N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine?
N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine has a molecular weight of 285.43 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-2-yl)-4-methyl-3-phenylhexan-2-amine is sourced from PubChem (CID 105029498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).