N-[2-(cyclohexylmethoxy)propyl]aniline

C16H25NO — CID 62584399

IUPACN-[2-(cyclohexylmethoxy)propyl]aniline
SMILESCC(CNc1ccccc1)OCC1CCCCC1
InChIInChI=1S/C16H25NO/c1-14(12-17-16-10-6-3-7-11-16)18-13-15-8-4-2-5-9-15/h3,6-7,10-11,14-15,17H,2,4-5,8-9,12-13H2,1H3
InChIKeyAZHXFVLMGQQHGD-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.08
Rot. Bonds6

About N-[2-(cyclohexylmethoxy)propyl]aniline

N-[2-(cyclohexylmethoxy)propyl]aniline (PubChem CID 62584399) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(cyclohexylmethoxy)propyl]aniline.

Molecular Properties

Compound NameN-[2-(cyclohexylmethoxy)propyl]aniline
PubChem CID62584399
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(cyclohexylmethoxy)propyl]aniline
SMILESCC(CNc1ccccc1)OCC1CCCCC1
InChIInChI=1S/C16H25NO/c1-14(12-17-16-10-6-3-7-11-16)18-13-15-8-4-2-5-9-15/h3,6-7,10-11,14-15,17H,2,4-5,8-9,12-13H2,1H3
InChIKeyAZHXFVLMGQQHGD-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cycloheptyloxypropyl)aniline
CID 55093129
N-[2-(oxolan-2-ylmethoxy)propyl]aniline
CID 55088776
N-(3-cyclopentyl-2-methylpropyl)aniline
CID 102494988
2-(cycloheptylmethoxy)-N-methylpropan-1-amine
CID 165349469
1-[2-(cyclohexylmethoxy)propyl]-4-phenylbenzene
CID 71242539
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
N-(2-propoxypropyl)aniline
CID 62585259
N-[2-(cyclohexylmethoxy)ethyl]aniline
CID 62582725
N-[2-(cyclopentylmethoxy)ethyl]aniline
CID 66323368
2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
CID 62383236
2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
CID 62383534
N-[2-(oxan-4-yloxy)propyl]aniline
CID 62584422

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethoxy)propyl]aniline?
The IUPAC name of N-[2-(cyclohexylmethoxy)propyl]aniline (CID 62584399) is N-[2-(cyclohexylmethoxy)propyl]aniline.
What is the SMILES notation for N-[2-(cyclohexylmethoxy)propyl]aniline?
The canonical SMILES for N-[2-(cyclohexylmethoxy)propyl]aniline is CC(CNc1ccccc1)OCC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylmethoxy)propyl]aniline?
The InChIKey is AZHXFVLMGQQHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(12-17-16-10-6-3-7-11-16)18-13-15-8-4-2-5-9-15/h3,6-7,10-11,14-15,17H,2,4-5,8-9,12-13H2,1H3.
What are the key properties of N-[2-(cyclohexylmethoxy)propyl]aniline?
N-[2-(cyclohexylmethoxy)propyl]aniline has a molecular weight of 247.38 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethoxy)propyl]aniline is sourced from PubChem (CID 62584399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).