(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol

C13H19NO — CID 174622209

IUPAC(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol
SMILESC/C(=C\c1ccc(CN)cc1)CCCO
InChIInChI=1S/C13H19NO/c1-11(3-2-8-15)9-12-4-6-13(10-14)7-5-12/h4-7,9,15H,2-3,8,10,14H2,1H3/b11-9+
InChIKeyVYMDSYAEQSUDKO-PKNBQFBNSA-N
MW205.30 g/mol
LogP2.32
Rot. Bonds5

About (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol

(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol (PubChem CID 174622209) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol
PubChem CID174622209
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol
SMILESC/C(=C\c1ccc(CN)cc1)CCCO
InChIInChI=1S/C13H19NO/c1-11(3-2-8-15)9-12-4-6-13(10-14)7-5-12/h4-7,9,15H,2-3,8,10,14H2,1H3/b11-9+
InChIKeyVYMDSYAEQSUDKO-PKNBQFBNSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-(4-methylphenyl)pent-4-en-1-ol
CID 67332507
3-[4-[(1E)-2,6-dimethylhepta-1,5-dienyl]phenyl]propan-1-ol
CID 67781741
8-[4-(aminomethyl)phenoxy]octan-1-ol
CID 71278332
[4-(2-benzyl-3-phenylprop-1-enyl)phenyl]methanamine
CID 126569736
3-[4-[3-amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]phenyl]propan-1-ol
CID 170806650
3-methyl-4-phenylbut-3-en-1-ol;phosphoric acid
CID 175448034
2-methyl-3-(4-pentoxyphenyl)prop-2-en-1-amine
CID 79324202
(Z)-N-[[4-(aminomethyl)phenyl]methyl]-2-methylbut-1-ene-1,4-diamine
CID 166944578
3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
CID 68679938
[4-(aminomethyl)phenyl]methanamine;tetrachlorostannane
CID 175880044
4-(3-hydroxy-2-methylprop-1-enyl)benzamide
CID 79334325
[4-[4-(2-methylprop-1-enyl)phenyl]phenyl]methanol
CID 19705950

Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol?
The IUPAC name of (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol (CID 174622209) is (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol.
What is the SMILES notation for (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol?
The canonical SMILES for (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol is C/C(=C\c1ccc(CN)cc1)CCCO.
What is the InChIKey of (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol?
The InChIKey is VYMDSYAEQSUDKO-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(3-2-8-15)9-12-4-6-13(10-14)7-5-12/h4-7,9,15H,2-3,8,10,14H2,1H3/b11-9+.
What are the key properties of (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol?
(E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-(aminomethyl)phenyl]-4-methylpent-4-en-1-ol is sourced from PubChem (CID 174622209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).