1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol

C14H24N2O — CID 79384268

IUPAC1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
SMILESCc1cccc(C(CN)N(C)CC(C)(C)O)c1
InChIInChI=1S/C14H24N2O/c1-11-6-5-7-12(8-11)13(9-15)16(4)10-14(2,3)17/h5-8,13,17H,9-10,15H2,1-4H3
InChIKeyTZXYGZPNMSUBDP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.70
Rot. Bonds5

About 1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol

1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79384268) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
PubChem CID79384268
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
SMILESCc1cccc(C(CN)N(C)CC(C)(C)O)c1
InChIInChI=1S/C14H24N2O/c1-11-6-5-7-12(8-11)13(9-15)16(4)10-14(2,3)17/h5-8,13,17H,9-10,15H2,1-4H3
InChIKeyTZXYGZPNMSUBDP-UHFFFAOYSA-N
XLogP1.70
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384884
N-(cyclobutylmethyl)-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 55210490
1-[[2-amino-1-(4-bromophenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79385181
N-methyl-1-(3-methylphenyl)-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 114236533
N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 43272724
N,N,2,2-tetramethyl-1-(3-methylphenyl)propane-1,3-diamine
CID 116904978
N-methyl-N-(2-methylphenyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 62003718
N,N,3,3-tetramethyl-1-(3-methylphenyl)butan-1-amine
CID 138627440
N,N,3-trimethyl-1-(3-methylphenyl)butane-1,4-diamine
CID 116905510
N-cyclohexyl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 16783142
1-(3-methylphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269372
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824

Frequently Asked Questions

What is the IUPAC name of 1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol (CID 79384268) is 1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol is Cc1cccc(C(CN)N(C)CC(C)(C)O)c1.
What is the InChIKey of 1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is TZXYGZPNMSUBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-6-5-7-12(8-11)13(9-15)16(4)10-14(2,3)17/h5-8,13,17H,9-10,15H2,1-4H3.
What are the key properties of 1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol?
1-[[2-amino-1-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 1.70, 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-(3-methylphenyl)ethyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79384268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).