2-amino-2-methyl-3-phenyldodecan-1-ol

C19H33NO — CID 174465183

IUPAC2-amino-2-methyl-3-phenyldodecan-1-ol
SMILESCCCCCCCCCC(c1ccccc1)C(C)(N)CO
InChIInChI=1S/C19H33NO/c1-3-4-5-6-7-8-12-15-18(19(2,20)16-21)17-13-10-9-11-14-17/h9-11,13-14,18,21H,3-8,12,15-16,20H2,1-2H3
InChIKeyBKCJNBSYDAXMRR-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.62
Rot. Bonds11

About 2-amino-2-methyl-3-phenyldodecan-1-ol

2-amino-2-methyl-3-phenyldodecan-1-ol (PubChem CID 174465183) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-amino-2-methyl-3-phenyldodecan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-3-phenyldodecan-1-ol
PubChem CID174465183
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-amino-2-methyl-3-phenyldodecan-1-ol
SMILESCCCCCCCCCC(c1ccccc1)C(C)(N)CO
InChIInChI=1S/C19H33NO/c1-3-4-5-6-7-8-12-15-18(19(2,20)16-21)17-13-10-9-11-14-17/h9-11,13-14,18,21H,3-8,12,15-16,20H2,1-2H3
InChIKeyBKCJNBSYDAXMRR-UHFFFAOYSA-N
XLogP4.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-phenyloctadecan-3-amine;hydrochloride
CID 173426899
1,1,2-triphenyltetradecan-1-amine
CID 87776795
(2-chloro-2-methylundecan-3-yl)benzene
CID 151297079
2,2-dichloroundecan-3-ylbenzene
CID 151571814
5-phenyl-4-propylpentadecan-4-amine;hydrochloride
CID 173426858
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
1,1,2-triphenylhexadecylphosphane;hydrochloride
CID 118389380
2-hydroxy-2,3-diphenyloctadecanoic acid
CID 70385778
3,8-dimethyl-1,7-diphenylhexadecan-8-amine
CID 70470413
(1-chloro-1,1-diphenyldocosan-2-yl)benzene
CID 88670042
(1R)-1-phenyloctan-1-ol
CID 12794259
azanium 2-methyl-3-phenylpentadecane-2-sulfonate
CID 140998618

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-phenyldodecan-1-ol?
The IUPAC name of 2-amino-2-methyl-3-phenyldodecan-1-ol (CID 174465183) is 2-amino-2-methyl-3-phenyldodecan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-3-phenyldodecan-1-ol?
The canonical SMILES for 2-amino-2-methyl-3-phenyldodecan-1-ol is CCCCCCCCCC(c1ccccc1)C(C)(N)CO.
What is the InChIKey of 2-amino-2-methyl-3-phenyldodecan-1-ol?
The InChIKey is BKCJNBSYDAXMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-3-4-5-6-7-8-12-15-18(19(2,20)16-21)17-13-10-9-11-14-17/h9-11,13-14,18,21H,3-8,12,15-16,20H2,1-2H3.
What are the key properties of 2-amino-2-methyl-3-phenyldodecan-1-ol?
2-amino-2-methyl-3-phenyldodecan-1-ol has a molecular weight of 291.48 g/mol, XLogP of 4.62, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-phenyldodecan-1-ol is sourced from PubChem (CID 174465183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).