2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol

C17H29NO — CID 83921754

IUPAC2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol
SMILESCCCCc1ccc(C(CC)CC(CN)CO)cc1
InChIInChI=1S/C17H29NO/c1-3-5-6-14-7-9-17(10-8-14)16(4-2)11-15(12-18)13-19/h7-10,15-16,19H,3-6,11-13,18H2,1-2H3
InChIKeyOJANIHAOSXAKNQ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.48
Rot. Bonds9

About 2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol

2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol (PubChem CID 83921754) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol
PubChem CID83921754
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol
SMILESCCCCc1ccc(C(CC)CC(CN)CO)cc1
InChIInChI=1S/C17H29NO/c1-3-5-6-14-7-9-17(10-8-14)16(4-2)11-15(12-18)13-19/h7-10,15-16,19H,3-6,11-13,18H2,1-2H3
InChIKeyOJANIHAOSXAKNQ-UHFFFAOYSA-N
XLogP3.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-4-(4-propylsulfonylphenyl)hexan-1-ol
CID 83927291
2-(aminomethyl)-4-(4-ethoxyphenyl)hexan-1-ol
CID 83932187
2-(4-heptylphenyl)propane-1,3-diol
CID 14527851
2-[2-(4-pentoxyphenyl)butyl]propane-1,3-diamine
CID 83932541
3-amino-1-(4-butylphenyl)propane-1,2-diol
CID 170828276
2-(aminomethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)hexan-1-ol
CID 83922113
1-butyl-4-hex-5-en-3-ylbenzene
CID 83921804
2-[2-amino-1-(4-octylphenyl)ethyl]propane-1,3-diol
CID 142762392
2-(aminomethyl)-4-(3-bromo-4-methoxyphenyl)hexan-1-ol
CID 83926083
2-(4-butylphenyl)-3-methylbutan-1-amine
CID 112507875
2-amino-2-(4-octylphenyl)ethanol
CID 19881300
2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 79254848

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol (CID 83921754) is 2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol is CCCCc1ccc(C(CC)CC(CN)CO)cc1.
What is the InChIKey of 2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol?
The InChIKey is OJANIHAOSXAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-5-6-14-7-9-17(10-8-14)16(4-2)11-15(12-18)13-19/h7-10,15-16,19H,3-6,11-13,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol?
2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(4-butylphenyl)hexan-1-ol is sourced from PubChem (CID 83921754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).