1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol

C18H31NO2 — CID 65189512

IUPAC1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol
SMILESCCC(C)(C)C(O)C(CN)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-6-18(4,5)17(20)16(11-19)14-7-9-15(10-8-14)21-12-13(2)3/h7-10,13,16-17,20H,6,11-12,19H2,1-5H3
InChIKeyPFTTZJAQEPXKLS-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.56
Rot. Bonds8

About 1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol

1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol (PubChem CID 65189512) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol.

Molecular Properties

Compound Name1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol
PubChem CID65189512
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol
SMILESCCC(C)(C)C(O)C(CN)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-6-18(4,5)17(20)16(11-19)14-7-9-15(10-8-14)21-12-13(2)3/h7-10,13,16-17,20H,6,11-12,19H2,1-5H3
InChIKeyPFTTZJAQEPXKLS-UHFFFAOYSA-N
XLogP3.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol
CID 65189462
3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 65189415
4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol
CID 65189752
1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol
CID 69330267
1-amino-2-(3,4-dimethylphenyl)-4,4-dimethylhexan-3-ol
CID 65189920
1-amino-2-(3,5-difluorophenyl)-4,4-dimethylhexan-3-ol
CID 65189332
1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol
CID 65187810
2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine
CID 43105137
2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 112512800
1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 65190191

Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol?
The IUPAC name of 1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol (CID 65189512) is 1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol.
What is the SMILES notation for 1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol?
The canonical SMILES for 1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol is CCC(C)(C)C(O)C(CN)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol?
The InChIKey is PFTTZJAQEPXKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-18(4,5)17(20)16(11-19)14-7-9-15(10-8-14)21-12-13(2)3/h7-10,13,16-17,20H,6,11-12,19H2,1-5H3.
What are the key properties of 1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol?
1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol has a molecular weight of 293.45 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol is sourced from PubChem (CID 65189512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).