N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine

C16H26N2O — CID 115244732

IUPACN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNCC1(CNCc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-13(2)19-15-6-4-14(5-7-15)10-18-12-16(8-9-16)11-17-3/h4-7,13,17-18H,8-12H2,1-3H3
InChIKeyOXTSCEBSPJCDHB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.56
Rot. Bonds8

About N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine

N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine (PubChem CID 115244732) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
PubChem CID115244732
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine
SMILESCNCC1(CNCc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-13(2)19-15-6-4-14(5-7-15)10-18-12-16(8-9-16)11-17-3/h4-7,13,17-18H,8-12H2,1-3H3
InChIKeyOXTSCEBSPJCDHB-UHFFFAOYSA-N
XLogP2.56
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
N,N-dimethyl-1-[[(4-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-amine
CID 115281280
1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244691
2-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenoxy]propanenitrile
CID 111579300
[1-[(4-propan-2-yloxyphenyl)methyl]cyclopropyl]methanamine
CID 116928971
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
N'-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54806264
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764
1-[[[4-(difluoromethoxy)phenyl]methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78912474
2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol
CID 114750364
N-(2-methoxyethyl)-N'-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54810062
2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 43754691

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine (CID 115244732) is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine is CNCC1(CNCc2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
The InChIKey is OXTSCEBSPJCDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)19-15-6-4-14(5-7-15)10-18-12-16(8-9-16)11-17-3/h4-7,13,17-18H,8-12H2,1-3H3.
What are the key properties of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine?
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(4-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 115244732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).