N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine

C15H24N2O — CID 113358796

IUPACN-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine
SMILESCC[C@@H](N)c1ccccc1N(C)C1CCOCC1
InChIInChI=1S/C15H24N2O/c1-3-14(16)13-6-4-5-7-15(13)17(2)12-8-10-18-11-9-12/h4-7,12,14H,3,8-11,16H2,1-2H3/t14-/m1/s1
InChIKeyZXNPABFPCRHIPC-CQSZACIVSA-N
MW248.37 g/mol
LogP2.71
Rot. Bonds4

About N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine

N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine (PubChem CID 113358796) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine
PubChem CID113358796
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine
SMILESCC[C@@H](N)c1ccccc1N(C)C1CCOCC1
InChIInChI=1S/C15H24N2O/c1-3-14(16)13-6-4-5-7-15(13)17(2)12-8-10-18-11-9-12/h4-7,12,14H,3,8-11,16H2,1-2H3/t14-/m1/s1
InChIKeyZXNPABFPCRHIPC-CQSZACIVSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 103958750
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 103958935
2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 103958672
1-[2-[methyl(oxan-4-yl)amino]phenyl]ethanol
CID 43611437
N-[2-(2-aminopropyl)phenyl]-N-methyloxan-4-amine
CID 63785331
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-[(1R)-1-aminopropyl]-N-cyclopentyl-N-ethylaniline
CID 103958535
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
CID 43611052
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine?
The IUPAC name of N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine (CID 113358796) is N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine is CC[C@@H](N)c1ccccc1N(C)C1CCOCC1.
What is the InChIKey of N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine?
The InChIKey is ZXNPABFPCRHIPC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-14(16)13-6-4-5-7-15(13)17(2)12-8-10-18-11-9-12/h4-7,12,14H,3,8-11,16H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine?
N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-aminopropyl]phenyl]-N-methyloxan-4-amine is sourced from PubChem (CID 113358796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).