1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol

C17H28N2O2 — CID 114948550

IUPAC1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CCCOc1ccc(CN)cc1)CC1(O)CCCC1
InChIInChI=1S/C17H28N2O2/c1-19(14-17(20)9-2-3-10-17)11-4-12-21-16-7-5-15(13-18)6-8-16/h5-8,20H,2-4,9-14,18H2,1H3
InChIKeyHARPCPWBYHMQAV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.15
Rot. Bonds8

About 1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol

1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114948550) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID114948550
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(CCCOc1ccc(CN)cc1)CC1(O)CCCC1
InChIInChI=1S/C17H28N2O2/c1-19(14-17(20)9-2-3-10-17)11-4-12-21-16-7-5-15(13-18)6-8-16/h5-8,20H,2-4,9-14,18H2,1H3
InChIKeyHARPCPWBYHMQAV-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-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
CID 114948529
N'-[3-[4-(aminomethyl)phenoxy]propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694110
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
4-[[2-(4-aminophenoxy)ethyl-methylamino]methyl]oxan-4-ol
CID 114948475
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
1-[[[4-(aminomethyl)-2-methylphenyl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948538
4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol
CID 115746915
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
N-[3-[4-(aminomethyl)phenoxy]propyl]-N-propylcyclopropanamine
CID 43270088
2-[2-[4-(aminomethyl)phenoxy]ethyl-methylamino]acetamide
CID 43373897
1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
CID 81098070

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol (CID 114948550) is 1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol is CN(CCCOc1ccc(CN)cc1)CC1(O)CCCC1.
What is the InChIKey of 1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is HARPCPWBYHMQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-19(14-17(20)9-2-3-10-17)11-4-12-21-16-7-5-15(13-18)6-8-16/h5-8,20H,2-4,9-14,18H2,1H3.
What are the key properties of 1-[[3-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol?
1-[[3-[4-(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-[4-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114948550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).