N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine

C18H19NOS — CID 68911327

IUPACN-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine
SMILESCN(CCCOc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C18H19NOS/c1-19(18-11-5-14-21-18)12-6-13-20-17-10-4-8-15-7-2-3-9-16(15)17/h2-5,7-11,14H,6,12-13H2,1H3
InChIKeySICKKPVDUNSZRI-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.81
Rot. Bonds6

About N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine

N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine (PubChem CID 68911327) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine
PubChem CID68911327
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC NameN-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine
SMILESCN(CCCOc1cccc2ccccc12)c1cccs1
InChIInChI=1S/C18H19NOS/c1-19(18-11-5-14-21-18)12-6-13-20-17-10-4-8-15-7-2-3-9-16(15)17/h2-5,7-11,14H,6,12-13H2,1H3
InChIKeySICKKPVDUNSZRI-UHFFFAOYSA-N
XLogP4.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2182565
1-butoxynaphthalene
CID 13262700
1-(3-chloropropoxy)naphthalene
CID 12685615
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
1-(4-methylpentoxy)naphthalene
CID 83168126
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
2-[methyl(2-naphthalen-1-yloxyethyl)amino]propanoic acid;hydrochloride
CID 119912986
1-N',1-N'-dimethyl-3-naphthalen-1-yloxy-1-phenylpropane-1,1-diamine
CID 155666618
N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 68611917
dichloro(3-naphthalen-1-yloxypropyl)silane
CID 131740391
N',N'-dimethyl-3-naphthalen-1-yloxypropanehydrazide
CID 116820813

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine?
The IUPAC name of N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine (CID 68911327) is N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine.
What is the SMILES notation for N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine?
The canonical SMILES for N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine is CN(CCCOc1cccc2ccccc12)c1cccs1.
What is the InChIKey of N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine?
The InChIKey is SICKKPVDUNSZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-19(18-11-5-14-21-18)12-6-13-20-17-10-4-8-15-7-2-3-9-16(15)17/h2-5,7-11,14H,6,12-13H2,1H3.
What are the key properties of N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine?
N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine has a molecular weight of 297.42 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-naphthalen-1-yloxypropyl)thiophen-2-amine is sourced from PubChem (CID 68911327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).