N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline

C15H21NO2 — CID 54799656

IUPACN-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline
SMILESc1cc(OCC2CCCO2)ccc1NCC1CC1
InChIInChI=1S/C15H21NO2/c1-2-15(17-9-1)11-18-14-7-5-13(6-8-14)16-10-12-3-4-12/h5-8,12,15-16H,1-4,9-11H2
InChIKeyFCBLPKVPNXCSJW-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.07
Rot. Bonds6

About N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline

N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline (PubChem CID 54799656) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline
PubChem CID54799656
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline
SMILESc1cc(OCC2CCCO2)ccc1NCC1CC1
InChIInChI=1S/C15H21NO2/c1-2-15(17-9-1)11-18-14-7-5-13(6-8-14)16-10-12-3-4-12/h5-8,12,15-16H,1-4,9-11H2
InChIKeyFCBLPKVPNXCSJW-UHFFFAOYSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
N-[(3,5-dichlorophenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 46736285
4-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)ethyl]aniline
CID 54799699
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821618
N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799584
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152
N-[2-(2-tert-butylphenoxy)ethyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799558
N-[[4-(2-ethoxyethoxy)phenyl]methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799559
N-[2-(3-methylphenoxy)ethyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799632

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline?
The IUPAC name of N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline (CID 54799656) is N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline?
The canonical SMILES for N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline is c1cc(OCC2CCCO2)ccc1NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline?
The InChIKey is FCBLPKVPNXCSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-15(17-9-1)11-18-14-7-5-13(6-8-14)16-10-12-3-4-12/h5-8,12,15-16H,1-4,9-11H2.
What are the key properties of N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline?
N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline has a molecular weight of 247.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline is sourced from PubChem (CID 54799656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).