N-butyl-4-naphthalen-1-yloxybutan-1-amine

C18H25NO — CID 2249724

IUPACN-butyl-4-naphthalen-1-yloxybutan-1-amine
SMILESCCCCNCCCCOc1cccc2ccccc12
InChIInChI=1S/C18H25NO/c1-2-3-13-19-14-6-7-15-20-18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12,19H,2-3,6-7,13-15H2,1H3
InChIKeyPVURRGIULHRCDY-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.39
Rot. Bonds9

About N-butyl-4-naphthalen-1-yloxybutan-1-amine

N-butyl-4-naphthalen-1-yloxybutan-1-amine (PubChem CID 2249724) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-butyl-4-naphthalen-1-yloxybutan-1-amine.

Molecular Properties

Compound NameN-butyl-4-naphthalen-1-yloxybutan-1-amine
PubChem CID2249724
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-butyl-4-naphthalen-1-yloxybutan-1-amine
SMILESCCCCNCCCCOc1cccc2ccccc12
InChIInChI=1S/C18H25NO/c1-2-3-13-19-14-6-7-15-20-18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12,19H,2-3,6-7,13-15H2,1H3
InChIKeyPVURRGIULHRCDY-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butoxynaphthalene
CID 13262700
4-naphthalen-1-yloxy-N-prop-2-enylbutan-1-amine
CID 2249610
N',N'-dimethyl-N-(3-naphthalen-1-yloxypropyl)propane-1,3-diamine
CID 2182334
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
CID 2248800
N-tert-butyl-6-naphthalen-1-yloxyhexan-1-amine
CID 58251909
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 2247450
4-(1-bromonaphthalen-2-yl)oxy-N-butylbutan-1-amine;oxalic acid
CID 2923347
1-decoxyphenanthrene
CID 140993229
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
3-methylbuta-1,2-diene;1-pentoxynaphthalene
CID 174706158
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-naphthalen-1-yloxybutan-1-amine?
The IUPAC name of N-butyl-4-naphthalen-1-yloxybutan-1-amine (CID 2249724) is N-butyl-4-naphthalen-1-yloxybutan-1-amine.
What is the SMILES notation for N-butyl-4-naphthalen-1-yloxybutan-1-amine?
The canonical SMILES for N-butyl-4-naphthalen-1-yloxybutan-1-amine is CCCCNCCCCOc1cccc2ccccc12.
What is the InChIKey of N-butyl-4-naphthalen-1-yloxybutan-1-amine?
The InChIKey is PVURRGIULHRCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-3-13-19-14-6-7-15-20-18-12-8-10-16-9-4-5-11-17(16)18/h4-5,8-12,19H,2-3,6-7,13-15H2,1H3.
What are the key properties of N-butyl-4-naphthalen-1-yloxybutan-1-amine?
N-butyl-4-naphthalen-1-yloxybutan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-naphthalen-1-yloxybutan-1-amine is sourced from PubChem (CID 2249724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).