3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one

C15H22N2O2 — CID 46195405

IUPAC3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(NCC2(O)CCCC2)c1
InChIInChI=1S/C15H22N2O2/c16-9-6-14(18)12-4-3-5-13(10-12)17-11-15(19)7-1-2-8-15/h3-5,10,17,19H,1-2,6-9,11,16H2
InChIKeyYPPPLVRORGNCBQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.94
Rot. Bonds6

About 3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one

3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one (PubChem CID 46195405) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one
PubChem CID46195405
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one
SMILESNCCC(=O)c1cccc(NCC2(O)CCCC2)c1
InChIInChI=1S/C15H22N2O2/c16-9-6-14(18)12-4-3-5-13(10-12)17-11-15(19)7-1-2-8-15/h3-5,10,17,19H,1-2,6-9,11,16H2
InChIKeyYPPPLVRORGNCBQ-UHFFFAOYSA-N
XLogP1.94
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[3-[(1-hydroxycyclopentyl)methylsulfinyl]phenyl]propan-1-one
CID 143954832
N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
CID 60898504
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
3-amino-1-[3-(cyclopentylsulfanylamino)phenyl]propan-1-one
CID 143981717
1-[(3-chloroanilino)methyl]cyclobutan-1-ol
CID 131701731
1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779
3-amino-1-[3-[(1-hydroxycyclohexyl)-methylamino]phenyl]propan-1-one
CID 67296576
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzoic acid
CID 102823234
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
1-[(3,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65211407
1-[(3-amino-4-methylanilino)methyl]cyclopentan-1-ol
CID 65103274
1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
CID 65210645

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one (CID 46195405) is 3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one is NCCC(=O)c1cccc(NCC2(O)CCCC2)c1.
What is the InChIKey of 3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one?
The InChIKey is YPPPLVRORGNCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-9-6-14(18)12-4-3-5-13(10-12)17-11-15(19)7-1-2-8-15/h3-5,10,17,19H,1-2,6-9,11,16H2.
What are the key properties of 3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one?
3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one is sourced from PubChem (CID 46195405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).