[1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine

C16H23NO — CID 115004778

IUPAC[1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2ccc(CC3COC3)cc2)CCCC1
InChIInChI=1S/C16H23NO/c17-12-16(7-1-2-8-16)15-5-3-13(4-6-15)9-14-10-18-11-14/h3-6,14H,1-2,7-12,17H2
InChIKeyJEZCETSRPVHQSR-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.65
Rot. Bonds4

About [1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine

[1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine (PubChem CID 115004778) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine
PubChem CID115004778
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine
SMILESNCC1(c2ccc(CC3COC3)cc2)CCCC1
InChIInChI=1S/C16H23NO/c17-12-16(7-1-2-8-16)15-5-3-13(4-6-15)9-14-10-18-11-14/h3-6,14H,1-2,7-12,17H2
InChIKeyJEZCETSRPVHQSR-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-(oxetan-3-yloxy)phenyl]cyclohexyl]methanamine
CID 117408251
[1-[4-(oxetan-3-ylsulfanyl)phenyl]cyclopentyl]methanamine
CID 117413818
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
[1-[4-(2,2-difluoroethyl)phenyl]cyclopentyl]methanamine
CID 117351233
[1-(4-propylphenyl)cyclohexyl]methanamine
CID 82495619
[1-(4-bromophenyl)cyclopentyl]methanamine
CID 43119067
[1-(4-chlorophenyl)cycloheptyl]methanamine
CID 28937852
4-[1-(aminomethyl)cyclohexyl]benzenethiol
CID 154826557
1-[4-[1-(aminomethyl)cyclohexyl]phenyl]propan-2-ol
CID 117371859
[1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]cyclopentyl]methanamine
CID 117464200
[1-[4-(cyclopropylmethylsulfanyl)phenyl]cyclohexyl]methanamine
CID 117441232

Frequently Asked Questions

What is the IUPAC name of [1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine?
The IUPAC name of [1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine (CID 115004778) is [1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine is NCC1(c2ccc(CC3COC3)cc2)CCCC1.
What is the InChIKey of [1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine?
The InChIKey is JEZCETSRPVHQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c17-12-16(7-1-2-8-16)15-5-3-13(4-6-15)9-14-10-18-11-14/h3-6,14H,1-2,7-12,17H2.
What are the key properties of [1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine?
[1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(oxetan-3-ylmethyl)phenyl]cyclopentyl]methanamine is sourced from PubChem (CID 115004778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).