N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline

C23H30N2O — CID 142367265

IUPACN-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline
SMILESCc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1NC1CCCC1
InChIInChI=1S/C23H30N2O/c1-18-6-9-21(16-23(18)24-22-4-2-3-5-22)20-10-7-19(8-11-20)17-25-12-14-26-15-13-25/h6-11,16,22,24H,2-5,12-15,17H2,1H3
InChIKeyDTDKGDKEPHKXAQ-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.85
Rot. Bonds5

About N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline

N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline (PubChem CID 142367265) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline
PubChem CID142367265
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline
SMILESCc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1NC1CCCC1
InChIInChI=1S/C23H30N2O/c1-18-6-9-21(16-23(18)24-22-4-2-3-5-22)20-10-7-19(8-11-20)17-25-12-14-26-15-13-25/h6-11,16,22,24H,2-5,12-15,17H2,1H3
InChIKeyDTDKGDKEPHKXAQ-UHFFFAOYSA-N
XLogP4.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2-(Morpholin-4-yl)phenyl)methanamine
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CID 45488923
N-[[4-(1,2-dihydroquinolin-7-yl)phenyl]methyl]-2-morpholin-4-ylethanamine
CID 137659255
2-[4-(Oxan-3-ylamino)piperidin-1-yl]-6-phenylbenzonitrile
CID 168294981
4-[4-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)butyl]morpholine
CID 9902341
N-[1-[4-[2-(4-morpholin-4-ylphenyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 90429533
4H-(1,4)Oxazino(4,3-a)(1,4)benzodiazepine, 1,2,4a,5-tetrahydro-10-methyl-7-phenyl-
CID 3058322

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline?
The IUPAC name of N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline (CID 142367265) is N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline.
What is the SMILES notation for N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline?
The canonical SMILES for N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline is Cc1ccc(-c2ccc(CN3CCOCC3)cc2)cc1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline?
The InChIKey is DTDKGDKEPHKXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18-6-9-21(16-23(18)24-22-4-2-3-5-22)20-10-7-19(8-11-20)17-25-12-14-26-15-13-25/h6-11,16,22,24H,2-5,12-15,17H2,1H3.
What are the key properties of N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline?
N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline has a molecular weight of 350.51 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]aniline is sourced from PubChem (CID 142367265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).