N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline

C18H30N2O — CID 63060808

IUPACN,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
SMILESCc1cc(CNCC(C)C)ccc1N(C)CC1CCCO1
InChIInChI=1S/C18H30N2O/c1-14(2)11-19-12-16-7-8-18(15(3)10-16)20(4)13-17-6-5-9-21-17/h7-8,10,14,17,19H,5-6,9,11-13H2,1-4H3
InChIKeyDXIGPXRNSBTBBH-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.36
Rot. Bonds7

About N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline

N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline (PubChem CID 63060808) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound NameN,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
PubChem CID63060808
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
SMILESCc1cc(CNCC(C)C)ccc1N(C)CC1CCCO1
InChIInChI=1S/C18H30N2O/c1-14(2)11-19-12-16-7-8-18(15(3)10-16)20(4)13-17-6-5-9-21-17/h7-8,10,14,17,19H,5-6,9,11-13H2,1-4H3
InChIKeyDXIGPXRNSBTBBH-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N,2-dimethyl-5-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)pyridin-4-amine
CID 81249404
4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 63794010
4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817565
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61432117
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81149095
2-chloro-4-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81147210
N,N,N'-trimethyl-N'-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]propane-1,3-diamine
CID 63699204
N,2-dimethyl-N-(2-methylbutyl)-4-[(2-methylpropylamino)methyl]aniline
CID 63551714
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-pentylaniline
CID 63553375
N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63059542
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(2-methylsulfonylethyl)aniline
CID 79843640

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline (CID 63060808) is N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline is Cc1cc(CNCC(C)C)ccc1N(C)CC1CCCO1.
What is the InChIKey of N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is DXIGPXRNSBTBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)11-19-12-16-7-8-18(15(3)10-16)20(4)13-17-6-5-9-21-17/h7-8,10,14,17,19H,5-6,9,11-13H2,1-4H3.
What are the key properties of N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline?
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 290.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 63060808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).