butoxymethylbenzene;phenylmethanamine

C18H25NO — CID 142079106

IUPACbutoxymethylbenzene;phenylmethanamine
SMILESCCCCOCc1ccccc1.NCc1ccccc1
InChIInChI=1S/C11H16O.C7H9N/c1-2-3-9-12-10-11-7-5-4-6-8-11;8-6-7-4-2-1-3-5-7/h4-8H,2-3,9-10H2,1H3;1-5H,6,8H2
InChIKeyQCCKDVLLBHLTTE-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.15
Rot. Bonds6

About butoxymethylbenzene;phenylmethanamine

butoxymethylbenzene;phenylmethanamine (PubChem CID 142079106) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is butoxymethylbenzene;phenylmethanamine.

Molecular Properties

Compound Namebutoxymethylbenzene;phenylmethanamine
PubChem CID142079106
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Namebutoxymethylbenzene;phenylmethanamine
SMILESCCCCOCc1ccccc1.NCc1ccccc1
InChIInChI=1S/C11H16O.C7H9N/c1-2-3-9-12-10-11-7-5-4-6-8-11;8-6-7-4-2-1-3-5-7/h4-8H,2-3,9-10H2,1H3;1-5H,6,8H2
InChIKeyQCCKDVLLBHLTTE-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.15
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

butoxymethylbenzene;ethane
CID 145341806
lithium;butoxymethylbenzene;hydride
CID 175482454
acetic acid;butoxymethylbenzene
CID 139463153
azane;hexoxymethylbenzene
CID 174805489
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
ethane;2-phenylmethoxyethanamine
CID 142016503

Frequently Asked Questions

What is the IUPAC name of butoxymethylbenzene;phenylmethanamine?
The IUPAC name of butoxymethylbenzene;phenylmethanamine (CID 142079106) is butoxymethylbenzene;phenylmethanamine.
What is the SMILES notation for butoxymethylbenzene;phenylmethanamine?
The canonical SMILES for butoxymethylbenzene;phenylmethanamine is CCCCOCc1ccccc1.NCc1ccccc1.
What is the InChIKey of butoxymethylbenzene;phenylmethanamine?
The InChIKey is QCCKDVLLBHLTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C7H9N/c1-2-3-9-12-10-11-7-5-4-6-8-11;8-6-7-4-2-1-3-5-7/h4-8H,2-3,9-10H2,1H3;1-5H,6,8H2.
What are the key properties of butoxymethylbenzene;phenylmethanamine?
butoxymethylbenzene;phenylmethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxymethylbenzene;phenylmethanamine is sourced from PubChem (CID 142079106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).