2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol

C15H26N2O — CID 83921763

IUPAC2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol
SMILESCCCCc1ccc(C(O)C(N)CCNC)cc1
InChIInChI=1S/C15H26N2O/c1-3-4-5-12-6-8-13(9-7-12)15(18)14(16)10-11-17-2/h6-9,14-15,17-18H,3-5,10-11,16H2,1-2H3
InChIKeyLUHPVDOQYBYBAM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.00
Rot. Bonds8

About 2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol

2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol (PubChem CID 83921763) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol
PubChem CID83921763
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol
SMILESCCCCc1ccc(C(O)C(N)CCNC)cc1
InChIInChI=1S/C15H26N2O/c1-3-4-5-12-6-8-13(9-7-12)15(18)14(16)10-11-17-2/h6-9,14-15,17-18H,3-5,10-11,16H2,1-2H3
InChIKeyLUHPVDOQYBYBAM-UHFFFAOYSA-N
XLogP2.00
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(methylamino)-1-(4-pentoxyphenyl)butan-1-ol
CID 83932555
2-amino-1-(4-octylphenyl)propane-1,3-diol
CID 135162597
2-amino-1-(4-butylphenyl)-3-methylbutan-1-ol
CID 112512257
1-[4-(3-hydroxypropyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890551
3-amino-1-(4-butylphenyl)propane-1,2-diol
CID 170828276
3-(methylamino)-1-(4-propylphenyl)propan-1-ol
CID 112509803
1-(4-butylphenyl)butan-1-ol
CID 61088483
4-[4-[1,2-dihydroxy-4-(methylamino)butyl]phenyl]butanoic acid
CID 171891079
1-(4-butylphenyl)-3-chloropropane-1,2-diol
CID 171862284
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
4-[2-amino-1-hydroxy-4-(methylamino)butyl]-2-(hydroxymethyl)phenol
CID 83920807
1-(4-hexylphenyl)-3-methyl-2-(methylamino)butan-1-ol
CID 82315751

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol?
The IUPAC name of 2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol (CID 83921763) is 2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol.
What is the SMILES notation for 2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol?
The canonical SMILES for 2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol is CCCCc1ccc(C(O)C(N)CCNC)cc1.
What is the InChIKey of 2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol?
The InChIKey is LUHPVDOQYBYBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-4-5-12-6-8-13(9-7-12)15(18)14(16)10-11-17-2/h6-9,14-15,17-18H,3-5,10-11,16H2,1-2H3.
What are the key properties of 2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol?
2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-butylphenyl)-4-(methylamino)butan-1-ol is sourced from PubChem (CID 83921763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).