1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol

C16H26N2O — CID 116695860

IUPAC1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol
SMILESCC1CC1CN(C)CCC(O)(CN)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-13-10-14(13)11-18(2)9-8-16(19,12-17)15-6-4-3-5-7-15/h3-7,13-14,19H,8-12,17H2,1-2H3
InChIKeyROLGWLSAAXPHHI-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.81
Rot. Bonds7

About 1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol

1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol (PubChem CID 116695860) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol
PubChem CID116695860
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol
SMILESCC1CC1CN(C)CCC(O)(CN)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-13-10-14(13)11-18(2)9-8-16(19,12-17)15-6-4-3-5-7-15/h3-7,13-14,19H,8-12,17H2,1-2H3
InChIKeyROLGWLSAAXPHHI-UHFFFAOYSA-N
XLogP1.81
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[cyclopropylmethyl(propyl)amino]-2-phenylbutan-2-ol
CID 116695809
1-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-phenylpropan-2-ol
CID 64821841
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylpropane-1,3-diamine
CID 55258829
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-phenylethane-1,2-diamine
CID 63865981
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-phenylbutane-1,4-diamine
CID 63859842
1-amino-2-phenyl-4-[propyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 116695800
1-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-phenylbutan-2-ol
CID 116695799
1-amino-3-(3,4-dimethylcyclohexyl)oxy-2-phenylpropan-2-ol
CID 64813393
1-amino-4-(3-methylcyclohexyl)sulfanyl-2-phenylbutan-2-ol
CID 116696101
2-(cyclopropylamino)-3-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylpropanenitrile
CID 63865033
N-(2-chlorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63866520
1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol
CID 102887348

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol?
The IUPAC name of 1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol (CID 116695860) is 1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol.
What is the SMILES notation for 1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol?
The canonical SMILES for 1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol is CC1CC1CN(C)CCC(O)(CN)c1ccccc1.
What is the InChIKey of 1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol?
The InChIKey is ROLGWLSAAXPHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-10-14(13)11-18(2)9-8-16(19,12-17)15-6-4-3-5-7-15/h3-7,13-14,19H,8-12,17H2,1-2H3.
What are the key properties of 1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol?
1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-phenylbutan-2-ol is sourced from PubChem (CID 116695860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).