(1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol

C14H21NO — CID 104869719

IUPAC(1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol
SMILESC=CCCCN(C)c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C14H21NO/c1-4-5-6-11-15(3)14-9-7-13(8-10-14)12(2)16/h4,7-10,12,16H,1,5-6,11H2,2-3H3/t12-/m1/s1
InChIKeyWSAPADHNQQOHGG-GFCCVEGCSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds6

About (1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol

(1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol (PubChem CID 104869719) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol
PubChem CID104869719
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol
SMILESC=CCCCN(C)c1ccc([C@@H](C)O)cc1
InChIInChI=1S/C14H21NO/c1-4-5-6-11-15(3)14-9-7-13(8-10-14)12(2)16/h4,7-10,12,16H,1,5-6,11H2,2-3H3/t12-/m1/s1
InChIKeyWSAPADHNQQOHGG-GFCCVEGCSA-N
XLogP3.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
(1S)-1-[5-[methyl(pent-4-enyl)amino]-2-pyridinyl]ethanol
CID 104869711
(1S)-1-[4-[methyl(pent-4-enyl)amino]-3-nitrophenyl]ethanol
CID 104869735
1-[4-[2-ethoxyethyl(methyl)amino]phenyl]ethanol
CID 81057167
1-[4-(dimethylamino)phenyl]hex-5-en-1-ol
CID 105102029
(1S)-1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 104869553
5-[(1S)-1-aminoethyl]-N-methyl-N-pent-4-enylpyridin-2-amine
CID 104869689
3-(4-butan-2-yl-N-methylanilino)propan-1-ol
CID 115216712
N-hept-6-enyl-N'-methyl-N'-phenylpropane-1,3-diamine
CID 107006435
1-[4-[methyl-[(2-methylcyclopropyl)methyl]amino]phenyl]ethanol
CID 63866230
1-[4-[(4-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 61415039
2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
CID 43506218

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol (CID 104869719) is (1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol is C=CCCCN(C)c1ccc([C@@H](C)O)cc1.
What is the InChIKey of (1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol?
The InChIKey is WSAPADHNQQOHGG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-5-6-11-15(3)14-9-7-13(8-10-14)12(2)16/h4,7-10,12,16H,1,5-6,11H2,2-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol?
(1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[methyl(pent-4-enyl)amino]phenyl]ethanol is sourced from PubChem (CID 104869719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).