2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol

C13H20N2O — CID 66419653

IUPAC2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol
SMILESNc1ccccc1CNCC1CCCC1O
InChIInChI=1S/C13H20N2O/c14-12-6-2-1-4-10(12)8-15-9-11-5-3-7-13(11)16/h1-2,4,6,11,13,15-16H,3,5,7-9,14H2
InChIKeyYTDNXPOHNGQWBN-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.52
Rot. Bonds4

About 2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol

2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 66419653) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID66419653
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol
SMILESNc1ccccc1CNCC1CCCC1O
InChIInChI=1S/C13H20N2O/c14-12-6-2-1-4-10(12)8-15-9-11-5-3-7-13(11)16/h1-2,4,6,11,13,15-16H,3,5,7-9,14H2
InChIKeyYTDNXPOHNGQWBN-UHFFFAOYSA-N
XLogP1.52
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 64926908
2-[[(2-chloro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 115656377
3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 107273176
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
[2-[(2-aminophenyl)methylamino]cyclopentyl]methanol
CID 106359504
2-[(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)methyl]cyclohexan-1-ol
CID 64927276
3-(2-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 120611060
2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 80703135
2-[[(2,3-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927106

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol (CID 66419653) is 2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol is Nc1ccccc1CNCC1CCCC1O.
What is the InChIKey of 2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is YTDNXPOHNGQWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-12-6-2-1-4-10(12)8-15-9-11-5-3-7-13(11)16/h1-2,4,6,11,13,15-16H,3,5,7-9,14H2.
What are the key properties of 2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol?
2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-aminophenyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 66419653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).