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

C16H26N2O — CID 114948239

IUPAC1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCc1ccc(C(CN)N(C)CC2(O)CCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-13-5-7-14(8-6-13)15(11-17)18(2)12-16(19)9-3-4-10-16/h5-8,15,19H,3-4,9-12,17H2,1-2H3
InChIKeyUWFPKFAGACFXOW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.23
Rot. Bonds5

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

1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114948239) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol
PubChem CID114948239
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol
SMILESCc1ccc(C(CN)N(C)CC2(O)CCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-13-5-7-14(8-6-13)15(11-17)18(2)12-16(19)9-3-4-10-16/h5-8,15,19H,3-4,9-12,17H2,1-2H3
InChIKeyUWFPKFAGACFXOW-UHFFFAOYSA-N
XLogP2.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[[[2-amino-1-(4-methylphenyl)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948033
1-[[(3-amino-1-phenylpropyl)-methylamino]methyl]cyclopentan-1-ol
CID 114948545
4-[[(2-amino-1-phenylethyl)-methylamino]methyl]oxan-4-ol
CID 114948371
2-[(1-hydroxycyclopentyl)methyl-methylamino]-1-(4-methylphenyl)propan-1-one
CID 114950447
1-[[[2-amino-1-(4-bromothiophen-2-yl)ethyl]-methylamino]methyl]cyclopentan-1-ol
CID 114948208
1-[[1-aminobutan-2-yl(methyl)amino]methyl]cyclopentan-1-ol
CID 114948519
N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43264750
N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 55005212
4-[[[2-amino-1-(3-bromophenyl)ethyl]-methylamino]methyl]oxan-4-ol
CID 114948515
N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 16786109
4-[[[2-amino-1-(furan-2-yl)ethyl]-methylamino]methyl]oxan-4-ol
CID 114948505
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 55016878

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol (CID 114948239) is 1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol is Cc1ccc(C(CN)N(C)CC2(O)CCCC2)cc1.
What is the InChIKey of 1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is UWFPKFAGACFXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-5-7-14(8-6-13)15(11-17)18(2)12-16(19)9-3-4-10-16/h5-8,15,19H,3-4,9-12,17H2,1-2H3.
What are the key properties of 1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol?
1-[[[2-amino-1-(4-methylphenyl)ethyl]-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.23, 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)ethyl]-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114948239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).