1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol

C17H28N2O2 — CID 114948529

IUPAC1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CCCOc1cccc(CN)c1)CC1(O)CCCC1
InChIInChI=1S/C17H28N2O2/c1-19(14-17(20)8-2-3-9-17)10-5-11-21-16-7-4-6-15(12-16)13-18/h4,6-7,12,20H,2-3,5,8-11,13-14,18H2,1H3
InChIKeyKTRNPPAUQJOFFO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.15
Rot. Bonds8

About 1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol

1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114948529) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID114948529
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CCCOc1cccc(CN)c1)CC1(O)CCCC1
InChIInChI=1S/C17H28N2O2/c1-19(14-17(20)8-2-3-9-17)10-5-11-21-16-7-4-6-15(12-16)13-18/h4,6-7,12,20H,2-3,5,8-11,13-14,18H2,1H3
InChIKeyKTRNPPAUQJOFFO-UHFFFAOYSA-N
XLogP2.15
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
CID 114948550
4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol
CID 114948588
1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol
CID 115669684
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
3-[3-(aminomethyl)phenoxy]-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 43530781
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-methylpropan-2-amine
CID 43253419
N-[2-[3-(aminomethyl)phenoxy]ethyl]-2-ethoxy-N-methylethanamine
CID 81058976
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
5-[3-(aminomethyl)phenoxy]pentan-1-ol
CID 62228589

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol (CID 114948529) is 1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol is CN(CCCOc1cccc(CN)c1)CC1(O)CCCC1.
What is the InChIKey of 1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is KTRNPPAUQJOFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-19(14-17(20)8-2-3-9-17)10-5-11-21-16-7-4-6-15(12-16)13-18/h4,6-7,12,20H,2-3,5,8-11,13-14,18H2,1H3.
What are the key properties of 1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol?
1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114948529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).