5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol

C15H26N2O2 — CID 107316874

IUPAC5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol
SMILESCOCc1ccccc1C(CN)NCCCCCO
InChIInChI=1S/C15H26N2O2/c1-19-12-13-7-3-4-8-14(13)15(11-16)17-9-5-2-6-10-18/h3-4,7-8,15,17-18H,2,5-6,9-12,16H2,1H3
InChIKeyAHRBWFDQJWIULJ-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.59
Rot. Bonds10

About 5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol

5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol (PubChem CID 107316874) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol
PubChem CID107316874
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol
SMILESCOCc1ccccc1C(CN)NCCCCCO
InChIInChI=1S/C15H26N2O2/c1-19-12-13-7-3-4-8-14(13)15(11-16)17-9-5-2-6-10-18/h3-4,7-8,15,17-18H,2,5-6,9-12,16H2,1H3
InChIKeyAHRBWFDQJWIULJ-UHFFFAOYSA-N
XLogP1.59
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(methoxymethyl)anilino]pentan-1-ol
CID 62229017
5-[1-(2-methoxyphenyl)propylamino]pentan-1-ol
CID 103913240
5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol
CID 107317019
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633
5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol
CID 107316843
3-[[2-amino-1-[2-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65378871
[2-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]cyclohexyl]methanol
CID 106360309
5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol
CID 107317087
5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol
CID 107316846
N-(6-hydroxyhexyl)-2-(methoxymethyl)benzamide
CID 103919534
5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol
CID 107316866
5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol
CID 107317121

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol (CID 107316874) is 5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol is COCc1ccccc1C(CN)NCCCCCO.
What is the InChIKey of 5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol?
The InChIKey is AHRBWFDQJWIULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-19-12-13-7-3-4-8-14(13)15(11-16)17-9-5-2-6-10-18/h3-4,7-8,15,17-18H,2,5-6,9-12,16H2,1H3.
What are the key properties of 5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol?
5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 1.59, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107316874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).