N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline

C17H27NO — CID 63451061

IUPACN-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
SMILESCc1cc(OC(C)C)ccc1NC(C)C1CCCC1
InChIInChI=1S/C17H27NO/c1-12(2)19-16-9-10-17(13(3)11-16)18-14(4)15-7-5-6-8-15/h9-12,14-15,18H,5-8H2,1-4H3
InChIKeyFTJLHGZGNHCGHN-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.77
Rot. Bonds5

About N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline

N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline (PubChem CID 63451061) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
PubChem CID63451061
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
SMILESCc1cc(OC(C)C)ccc1NC(C)C1CCCC1
InChIInChI=1S/C17H27NO/c1-12(2)19-16-9-10-17(13(3)11-16)18-14(4)15-7-5-6-8-15/h9-12,14-15,18H,5-8H2,1-4H3
InChIKeyFTJLHGZGNHCGHN-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727
4-bromo-N-(1-cyclopentylethyl)-2-methylaniline
CID 63418980
methyl 4-(1-cyclopentylethylamino)-3-methylbenzoate
CID 63445570
2-methyl-N-(4-methylcyclohexyl)-4-propan-2-yloxyaniline
CID 55193112
N-(1-cyclopentylethyl)-2-methyl-4-nitroaniline
CID 62632277
N-(2-methyl-4-propan-2-yloxyphenyl)-1-oxothian-4-amine
CID 54981487
N-(2-methyl-4-propan-2-yloxyphenyl)thiolan-3-amine
CID 54865516
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661
4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 62865937
4-ethyl-N-(2-methyl-4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65083302
N-(2-methyl-4-propan-2-yloxyphenyl)-1,1-dioxothian-3-amine
CID 63922032
2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline
CID 82836058

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline?
The IUPAC name of N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline (CID 63451061) is N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline?
The canonical SMILES for N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline is Cc1cc(OC(C)C)ccc1NC(C)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline?
The InChIKey is FTJLHGZGNHCGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)19-16-9-10-17(13(3)11-16)18-14(4)15-7-5-6-8-15/h9-12,14-15,18H,5-8H2,1-4H3.
What are the key properties of N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline?
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline has a molecular weight of 261.41 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline is sourced from PubChem (CID 63451061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).