2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol

C16H27NO2 — CID 175082218

IUPAC2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol
SMILESCCCCCC(C)(CO)NC(CO)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-3-4-8-11-16(2,13-19)17-15(12-18)14-9-6-5-7-10-14/h5-7,9-10,15,17-19H,3-4,8,11-13H2,1-2H3
InChIKeyMRHMDIAIFKNFDD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.64
Rot. Bonds9

About 2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol

2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol (PubChem CID 175082218) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol.

Molecular Properties

Compound Name2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol
PubChem CID175082218
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol
SMILESCCCCCC(C)(CO)NC(CO)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-3-4-8-11-16(2,13-19)17-15(12-18)14-9-6-5-7-10-14/h5-7,9-10,15,17-19H,3-4,8,11-13H2,1-2H3
InChIKeyMRHMDIAIFKNFDD-UHFFFAOYSA-N
XLogP2.64
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxy-1-phenylethyl)amino]-2-methylpropane-1,3-diol
CID 103464543
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
2-(2-methoxyanilino)-2-methylnonan-1-ol
CID 61050086
2-(2-fluoroanilino)-2-methylnonan-1-ol
CID 55198849
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
1-hexyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 59924188
2,4,4-trimethyl-N-(1-phenylhexyl)pentan-2-amine
CID 63445443
N-(3-methylpentan-3-yl)-1-phenylethane-1,2-diamine
CID 146442812
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
1-butyl-3-[(1R)-2-hydroxy-1-phenylethyl]urea
CID 94740192
(2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoro-2-isocyanopropan-2-yl]amino]ethanol
CID 123883586
3-(1-phenylhexylamino)propane-1,2-diol
CID 66176548

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol?
The IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol (CID 175082218) is 2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol.
What is the SMILES notation for 2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol?
The canonical SMILES for 2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol is CCCCCC(C)(CO)NC(CO)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol?
The InChIKey is MRHMDIAIFKNFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-4-8-11-16(2,13-19)17-15(12-18)14-9-6-5-7-10-14/h5-7,9-10,15,17-19H,3-4,8,11-13H2,1-2H3.
What are the key properties of 2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol?
2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-phenylethyl)amino]-2-methylheptan-1-ol is sourced from PubChem (CID 175082218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).