4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine

C17H21NO — CID 2249610

IUPAC4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine
SMILESC=CCNCCCCOc1cccc2ccccc12
InChIInChI=1S/C17H21NO/c1-2-12-18-13-5-6-14-19-17-11-7-9-15-8-3-4-10-16(15)17/h2-4,7-11,18H,1,5-6,12-14H2
InChIKeyMVASDPCOIBOMDW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.77
Rot. Bonds8

About 4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine

4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine (PubChem CID 2249610) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine
PubChem CID2249610
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine
SMILESC=CCNCCCCOc1cccc2ccccc12
InChIInChI=1S/C17H21NO/c1-2-12-18-13-5-6-14-19-17-11-7-9-15-8-3-4-10-16(15)17/h2-4,7-11,18H,1,5-6,12-14H2
InChIKeyMVASDPCOIBOMDW-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-4-naphthalen-1-yloxybutan-1-amine
CID 2249724
N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334
N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine
CID 58251909
1-(3-chloropropoxy)naphthalene
CID 12685615
N-[(2-hexoxynaphthalen-1-yl)methyl]prop-2-en-1-amine
CID 54849892
N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine
CID 55092999
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
1-butoxynaphthalene
CID 13262700
oxirane;1-prop-2-enoxynaphthalene
CID 174790954
4-(3-ethoxyphenoxy)-N-prop-2-enylbutan-1-amine
CID 2298129
1-(4-methylpentoxy)naphthalene
CID 83168126
dichloro(3-naphthalen-1-yloxypropyl)silane
CID 131740391

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine?
The IUPAC name of 4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine (CID 2249610) is 4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine.
What is the SMILES notation for 4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine?
The canonical SMILES for 4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine is C=CCNCCCCOc1cccc2ccccc12.
What is the InChIKey of 4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine?
The InChIKey is MVASDPCOIBOMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-12-18-13-5-6-14-19-17-11-7-9-15-8-3-4-10-16(15)17/h2-4,7-11,18H,1,5-6,12-14H2.
What are the key properties of 4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine?
4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine is sourced from PubChem (CID 2249610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).