3-butoxy-N-(cyclohexylmethyl)aniline

C17H27NO — CID 54800630

IUPAC3-butoxy-N-(cyclohexylmethyl)aniline
SMILESCCCCOc1cccc(NCC2CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-2-3-12-19-17-11-7-10-16(13-17)18-14-15-8-5-4-6-9-15/h7,10-11,13,15,18H,2-6,8-9,12,14H2,1H3
InChIKeyRCXPOKYDZSAVAJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.86
Rot. Bonds7

About 3-butoxy-N-(cyclohexylmethyl)aniline

3-butoxy-N-(cyclohexylmethyl)aniline (PubChem CID 54800630) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-butoxy-N-(cyclohexylmethyl)aniline.

Molecular Properties

Compound Name3-butoxy-N-(cyclohexylmethyl)aniline
PubChem CID54800630
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-butoxy-N-(cyclohexylmethyl)aniline
SMILESCCCCOc1cccc(NCC2CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-2-3-12-19-17-11-7-10-16(13-17)18-14-15-8-5-4-6-9-15/h7,10-11,13,15,18H,2-6,8-9,12,14H2,1H3
InChIKeyRCXPOKYDZSAVAJ-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.86
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

N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
2-[3-(cyclohexylmethylamino)phenoxy]acetamide
CID 43720202
3-butoxy-N-octylaniline
CID 54800685
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline
CID 83961015
N'-cyclohexyl-N'-methyl-N-(3-propoxyphenyl)ethane-1,2-diamine
CID 54809683
N-(3-butoxyphenyl)-2-[cyclohexyl(methyl)amino]acetamide
CID 54818028
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N'-(3-heptoxyphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54808334
3-(2-methoxyethoxy)-N-(thiolan-3-ylmethyl)aniline
CID 107131858
1-[3-(cyclohexylmethylamino)phenyl]-2,2-dideuteriobutan-1-ol
CID 90337050

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-(cyclohexylmethyl)aniline?
The IUPAC name of 3-butoxy-N-(cyclohexylmethyl)aniline (CID 54800630) is 3-butoxy-N-(cyclohexylmethyl)aniline.
What is the SMILES notation for 3-butoxy-N-(cyclohexylmethyl)aniline?
The canonical SMILES for 3-butoxy-N-(cyclohexylmethyl)aniline is CCCCOc1cccc(NCC2CCCCC2)c1.
What is the InChIKey of 3-butoxy-N-(cyclohexylmethyl)aniline?
The InChIKey is RCXPOKYDZSAVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-12-19-17-11-7-10-16(13-17)18-14-15-8-5-4-6-9-15/h7,10-11,13,15,18H,2-6,8-9,12,14H2,1H3.
What are the key properties of 3-butoxy-N-(cyclohexylmethyl)aniline?
3-butoxy-N-(cyclohexylmethyl)aniline has a molecular weight of 261.41 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-(cyclohexylmethyl)aniline is sourced from PubChem (CID 54800630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).