N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline

C19H27NO2 — CID 22747580

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline
SMILESCOc1ccc(NCC2CC=CCC2)cc1OC1CCCC1
InChIInChI=1S/C19H27NO2/c1-21-18-12-11-16(20-14-15-7-3-2-4-8-15)13-19(18)22-17-9-5-6-10-17/h2-3,11-13,15,17,20H,4-10,14H2,1H3
InChIKeyFGBKTFPZYZJHOI-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.78
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline

N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline (PubChem CID 22747580) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline
PubChem CID22747580
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline
SMILESCOc1ccc(NCC2CC=CCC2)cc1OC1CCCC1
InChIInChI=1S/C19H27NO2/c1-21-18-12-11-16(20-14-15-7-3-2-4-8-15)13-19(18)22-17-9-5-6-10-17/h2-3,11-13,15,17,20H,4-10,14H2,1H3
InChIKeyFGBKTFPZYZJHOI-UHFFFAOYSA-N
XLogP4.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline
CID 61059642
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3,5-dimethoxyaniline
CID 28614317
3-chloro-N-(cyclohex-3-en-1-ylmethyl)-4-(difluoromethoxy)aniline
CID 43104519
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxyaniline
CID 59230810
[5-(cyclohex-3-en-1-ylmethylamino)-2-ethoxyphenyl]methanol
CID 54880206
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616
3-(cyclohex-3-en-1-ylmethylamino)-4-methoxybenzamide
CID 43735274
N-(cyclohex-3-en-1-ylmethyl)-4-fluoro-3-methylaniline
CID 62810912
3-cyclobutyloxy-N-[(3-fluorophenyl)methyl]-4-methoxyaniline
CID 91408824
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylthiourea
CID 75414342
3,4-dimethoxy-N-(thiolan-3-ylmethyl)aniline
CID 107131165
2-chloro-4-N-(cyclohex-3-en-1-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 55191974

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline (CID 22747580) is N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline is COc1ccc(NCC2CC=CCC2)cc1OC1CCCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline?
The InChIKey is FGBKTFPZYZJHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-21-18-12-11-16(20-14-15-7-3-2-4-8-15)13-19(18)22-17-9-5-6-10-17/h2-3,11-13,15,17,20H,4-10,14H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline?
N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline has a molecular weight of 301.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-cyclopentyloxy-4-methoxyaniline is sourced from PubChem (CID 22747580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).