N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline

C18H24N2O — CID 63942132

IUPACN,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline
SMILESCC(C)NCc1cccc(Oc2cccc(N(C)C)c2)c1
InChIInChI=1S/C18H24N2O/c1-14(2)19-13-15-7-5-9-17(11-15)21-18-10-6-8-16(12-18)20(3)4/h5-12,14,19H,13H2,1-4H3
InChIKeyVYUUVJOJPXFCGG-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.04
Rot. Bonds6

About N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline

N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline (PubChem CID 63942132) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline
PubChem CID63942132
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline
SMILESCC(C)NCc1cccc(Oc2cccc(N(C)C)c2)c1
InChIInChI=1S/C18H24N2O/c1-14(2)19-13-15-7-5-9-17(11-15)21-18-10-6-8-16(12-18)20(3)4/h5-12,14,19H,13H2,1-4H3
InChIKeyVYUUVJOJPXFCGG-UHFFFAOYSA-N
XLogP4.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline
CID 62322084
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324
N-[[3-(2-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63942707
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643
1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine
CID 82925202
N-[[3-(2,3-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63943700
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
N-[[3-(2-bromo-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63941535
3-(3-methoxyphenoxy)-N,N-dimethylaniline
CID 138490404
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline?
The IUPAC name of N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline (CID 63942132) is N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline.
What is the SMILES notation for N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline?
The canonical SMILES for N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline is CC(C)NCc1cccc(Oc2cccc(N(C)C)c2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline?
The InChIKey is VYUUVJOJPXFCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(2)19-13-15-7-5-9-17(11-15)21-18-10-6-8-16(12-18)20(3)4/h5-12,14,19H,13H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline?
N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline has a molecular weight of 284.40 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[(propan-2-ylamino)methyl]phenoxy]aniline is sourced from PubChem (CID 63942132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).