2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol

C14H21NO — CID 68829740

IUPAC2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol
SMILESC=CC(c1ccccc1O)[C@H](C)CN(C)C
InChIInChI=1S/C14H21NO/c1-5-12(11(2)10-15(3)4)13-8-6-7-9-14(13)16/h5-9,11-12,16H,1,10H2,2-4H3/t11-,12?/m1/s1
InChIKeyRPOZICNTIXTNQQ-JHJMLUEUSA-N
MW219.33 g/mol
LogP2.86
Rot. Bonds5

About 2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol

2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol (PubChem CID 68829740) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol.

Molecular Properties

Compound Name2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol
PubChem CID68829740
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol
SMILESC=CC(c1ccccc1O)[C@H](C)CN(C)C
InChIInChI=1S/C14H21NO/c1-5-12(11(2)10-15(3)4)13-8-6-7-9-14(13)16/h5-9,11-12,16H,1,10H2,2-4H3/t11-,12?/m1/s1
InChIKeyRPOZICNTIXTNQQ-JHJMLUEUSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol?
The IUPAC name of 2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol (CID 68829740) is 2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol.
What is the SMILES notation for 2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol?
The canonical SMILES for 2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol is C=CC(c1ccccc1O)[C@H](C)CN(C)C.
What is the InChIKey of 2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol?
The InChIKey is RPOZICNTIXTNQQ-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-12(11(2)10-15(3)4)13-8-6-7-9-14(13)16/h5-9,11-12,16H,1,10H2,2-4H3/t11-,12?/m1/s1.
What are the key properties of 2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol?
2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol has a molecular weight of 219.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-5-(dimethylamino)-4-methylpent-1-en-3-yl]phenol is sourced from PubChem (CID 68829740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).