1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol

C17H28N2O — CID 114948033

IUPAC1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCc1ccc(C(C(C)N)N(C)CC2(O)CCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-13-6-8-15(9-7-13)16(14(2)18)19(3)12-17(20)10-4-5-11-17/h6-9,14,16,20H,4-5,10-12,18H2,1-3H3
InChIKeyWURYBYVBPXFUJC-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.62
Rot. Bonds5

About 1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol

1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114948033) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114948033
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCc1ccc(C(C(C)N)N(C)CC2(O)CCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-13-6-8-15(9-7-13)16(14(2)18)19(3)12-17(20)10-4-5-11-17/h6-9,14,16,20H,4-5,10-12,18H2,1-3H3
InChIKeyWURYBYVBPXFUJC-UHFFFAOYSA-N
XLogP2.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

(2R)-2-[[4-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenyl]methylamino]butan-1-ol
CID 57395036
1-[4-(2-Aminoethyl)benzyl]-3-[(dimethylamino)methyl]-3-piperidinol
CID 70785957
(2S)-2-[(4-ethylphenyl)methylamino]butan-1-ol
CID 967947
1-({2-[(4-Ethylbenzyl)amino]ethyl}amino)propan-2-ol
CID 2966806
(1-{2-[(4-Isopropylbenzyl)amino]ethyl}piperidin-2-yl)methanol
CID 131913430
1-[1-[2-(3-Fluorophenyl)-2-methylpiperazin-1-yl]ethyl]cyclohexan-1-ol
CID 145776152
1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-1-(4-fluorophenyl)-2-methylpropan-2-ol
CID 146466522
(2S)-2-[[(1R,2R)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,2-bis(4-methylphenyl)ethyl]amino]-3-methylbutan-1-ol
CID 10669389
2-[2-(Dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
CID 55245379
N-cyclopentyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 55245569
1-[[1-(2-Fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
CID 60710849
1-[[1-(3-Fluorophenyl)ethylamino]methyl]cycloheptan-1-ol
CID 60710889

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol (CID 114948033) is 1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol is Cc1ccc(C(C(C)N)N(C)CC2(O)CCCC2)cc1.
What is the InChIKey of 1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is WURYBYVBPXFUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-6-8-15(9-7-13)16(14(2)18)19(3)12-17(20)10-4-5-11-17/h6-9,14,16,20H,4-5,10-12,18H2,1-3H3.
What are the key properties of 1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114948033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).