trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol

C14H21NO — CID 102734447

IUPACtrans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
SMILESCc1ccccc1CN(C)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C14H21NO/c1-11-6-3-4-7-12(11)10-15(2)13-8-5-9-14(13)16/h3-4,6-7,13-14,16H,5,8-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyKZGNRIHCNHYYSW-ZIAGYGMSSA-N
MW219.33 g/mol
LogP2.34
Rot. Bonds3

About trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol

trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol (PubChem CID 102734447) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
PubChem CID102734447
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nametrans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol
SMILESCc1ccccc1CN(C)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C14H21NO/c1-11-6-3-4-7-12(11)10-15(2)13-8-5-9-14(13)16/h3-4,6-7,13-14,16H,5,8-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyKZGNRIHCNHYYSW-ZIAGYGMSSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3,3-trimethyl-1-N-[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 79828839
methyl 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzoate
CID 102632732
trans-(1S,2S)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 102731964
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]cyclohexan-1-ol
CID 61426304
trans-(1S,2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]cyclopentan-1-ol
CID 102734364
3,5-dimethyl-2-[methyl-[(2-methylphenyl)methyl]amino]cyclohexan-1-ol
CID 64750698
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
trans-(1S,2S)-2-[(2-methylphenyl)methylsulfanyl]cyclopentan-1-ol
CID 102735724
cis-(1S,2R)-2-[methyl-[(1-methyl-3-phenylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
CID 77082472
trans-(1S,2S)-2-[methyl(thiophen-2-ylmethyl)amino]cyclohexan-1-ol
CID 102731893
2-[methyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]cyclohexan-1-ol
CID 102636827
4-[[(2-hydroxycyclohexyl)-methylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 102632714

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol (CID 102734447) is trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol is Cc1ccccc1CN(C)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol?
The InChIKey is KZGNRIHCNHYYSW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-6-3-4-7-12(11)10-15(2)13-8-5-9-14(13)16/h3-4,6-7,13-14,16H,5,8-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[methyl-[(2-methylphenyl)methyl]amino]cyclopentan-1-ol is sourced from PubChem (CID 102734447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).