N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine

C17H21NO — CID 116870622

IUPACN-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2cccc3ccccc23)COC1
InChIInChI=1S/C17H21NO/c1-13(2)18-10-17(11-19-12-17)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,18H,10-12H2,1-2H3
InChIKeyNOEUXMNNNGEUGW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.11
Rot. Bonds4

About N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine

N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine (PubChem CID 116870622) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine
PubChem CID116870622
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(c2cccc3ccccc23)COC1
InChIInChI=1S/C17H21NO/c1-13(2)18-10-17(11-19-12-17)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,18H,10-12H2,1-2H3
InChIKeyNOEUXMNNNGEUGW-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-naphthalen-1-yloxetan-3-yl)propan-2-amine
CID 116870023
N-[[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870590
1-(1-propan-2-ylcyclohexyl)naphthalene
CID 57087987
3-bromo-3-naphthalen-1-yloxetane
CID 116876457
3-naphthalen-1-yloxetan-3-ol
CID 116873048
3-chloro-3-naphthalen-1-yloxetane
CID 116876568
N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870615
N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine
CID 62829689
N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
CID 55195742
N-[[1-(2-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 63512430
[1-(3-naphthalen-1-yloxetan-3-yl)cyclopropyl]methanamine
CID 116874836
2,2-dimethyl-1-naphthalen-1-ylcyclopentan-1-ol
CID 79863482

Frequently Asked Questions

What is the IUPAC name of N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine (CID 116870622) is N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine is CC(C)NCC1(c2cccc3ccccc23)COC1.
What is the InChIKey of N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine?
The InChIKey is NOEUXMNNNGEUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)18-10-17(11-19-12-17)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,13,18H,10-12H2,1-2H3.
What are the key properties of N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine?
N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 116870622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).