(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine

C16H19NO — CID 81403532

IUPAC(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESC[C@H](NCc1ccc(C2CC2)cc1)c1ccco1
InChIInChI=1S/C16H19NO/c1-12(16-3-2-10-18-16)17-11-13-4-6-14(7-5-13)15-8-9-15/h2-7,10,12,15,17H,8-9,11H2,1H3/t12-/m0/s1
InChIKeyVJFFWTAOGREQFN-LBPRGKRZSA-N
MW241.33 g/mol
LogP4.01
Rot. Bonds5

About (1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine

(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 81403532) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID81403532
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESC[C@H](NCc1ccc(C2CC2)cc1)c1ccco1
InChIInChI=1S/C16H19NO/c1-12(16-3-2-10-18-16)17-11-13-4-6-14(7-5-13)15-8-9-15/h2-7,10,12,15,17H,8-9,11H2,1H3/t12-/m0/s1
InChIKeyVJFFWTAOGREQFN-LBPRGKRZSA-N
XLogP4.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
1-(furan-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437580
N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline
CID 81403321
(1R)-1-(furan-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 81391853
(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 81392851
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine
CID 28643569
(1R)-1-(furan-2-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 81402794
1-(furan-2-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66408062
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine (CID 81403532) is (1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine is C[C@H](NCc1ccc(C2CC2)cc1)c1ccco1.
What is the InChIKey of (1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is VJFFWTAOGREQFN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19NO/c1-12(16-3-2-10-18-16)17-11-13-4-6-14(7-5-13)15-8-9-15/h2-7,10,12,15,17H,8-9,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine?
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 241.33 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81403532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).