4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol

C14H24N2O2 — CID 117039190

IUPAC4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
SMILESCOc1ccc(C)cc1CN(C)CC(O)CCN
InChIInChI=1S/C14H24N2O2/c1-11-4-5-14(18-3)12(8-11)9-16(2)10-13(17)6-7-15/h4-5,8,13,17H,6-7,9-10,15H2,1-3H3
InChIKeyFWGOWUSKSQLNRE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.15
Rot. Bonds7

About 4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol

4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol (PubChem CID 117039190) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
PubChem CID117039190
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
SMILESCOc1ccc(C)cc1CN(C)CC(O)CCN
InChIInChI=1S/C14H24N2O2/c1-11-4-5-14(18-3)12(8-11)9-16(2)10-13(17)6-7-15/h4-5,8,13,17H,6-7,9-10,15H2,1-3H3
InChIKeyFWGOWUSKSQLNRE-UHFFFAOYSA-N
XLogP1.15
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropanethioamide
CID 62161799
4-amino-1-[(2,5-difluorophenyl)methyl-methylamino]butan-2-ol
CID 117039211
2-[2-hydroxy-3-[(2-methoxy-5-methylphenyl)methyl-methylamino]propyl]isoindole-1,3-dione
CID 42944047
1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 78820773
1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 115121516
4-amino-2-[(2-methoxy-5-methylphenyl)methyl]butanoic acid
CID 104681023
1-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 78927372
4-amino-1-(3,4-dimethoxy-N-methylanilino)butan-2-ol
CID 117039074
3-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-N-methylbutane-1,3-diamine
CID 117040436
N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202638
4-amino-1-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 83933089
1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 115121489

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol?
The IUPAC name of 4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol (CID 117039190) is 4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol?
The canonical SMILES for 4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol is COc1ccc(C)cc1CN(C)CC(O)CCN.
What is the InChIKey of 4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol?
The InChIKey is FWGOWUSKSQLNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-4-5-14(18-3)12(8-11)9-16(2)10-13(17)6-7-15/h4-5,8,13,17H,6-7,9-10,15H2,1-3H3.
What are the key properties of 4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol?
4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol is sourced from PubChem (CID 117039190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).