N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline

C18H28N2O — CID 43781224

IUPACN-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCOC1CCCCC1Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-21-18-7-3-2-6-17(18)19-16-10-8-15(9-11-16)14-20-12-4-5-13-20/h8-11,17-19H,2-7,12-14H2,1H3
InChIKeyQUWMWWXNLPVZSC-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.65
Rot. Bonds5

About N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline

N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 43781224) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
PubChem CID43781224
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
SMILESCOC1CCCCC1Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-21-18-7-3-2-6-17(18)19-16-10-8-15(9-11-16)14-20-12-4-5-13-20/h8-11,17-19H,2-7,12-14H2,1H3
InChIKeyQUWMWWXNLPVZSC-UHFFFAOYSA-N
XLogP3.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64762801
N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43684589
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one
CID 43780088
N-(2,2-dimethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 79860710
4-[4-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593760
4-N-[4-(pyrrolidin-1-ylmethyl)phenyl]cyclohexane-1,4-diamine
CID 79724721
3,4-difluoro-N-(2-methoxycyclohexyl)aniline
CID 43761652
ethyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43783950
N-ethyl-4-[(2-methoxycyclohexyl)amino]benzamide
CID 43787667
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
N-(3-ethylcyclopentyl)-4-(pyrrolidin-1-ylmethyl)aniline
CID 64501891

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline (CID 43781224) is N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline is COC1CCCCC1Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is QUWMWWXNLPVZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-18-7-3-2-6-17(18)19-16-10-8-15(9-11-16)14-20-12-4-5-13-20/h8-11,17-19H,2-7,12-14H2,1H3.
What are the key properties of N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline?
N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 288.43 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-4-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 43781224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).