N-butan-2-yl-4-(propan-2-yloxymethyl)aniline

C14H23NO — CID 115919101

IUPACN-butan-2-yl-4-(propan-2-yloxymethyl)aniline
SMILESCCC(C)Nc1ccc(COC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-5-12(4)15-14-8-6-13(7-9-14)10-16-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyWRONOMONKVDIQE-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.82
Rot. Bonds6

About N-butan-2-yl-4-(propan-2-yloxymethyl)aniline

N-butan-2-yl-4-(propan-2-yloxymethyl)aniline (PubChem CID 115919101) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-butan-2-yl-4-(propan-2-yloxymethyl)aniline.

Molecular Properties

Compound NameN-butan-2-yl-4-(propan-2-yloxymethyl)aniline
PubChem CID115919101
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-butan-2-yl-4-(propan-2-yloxymethyl)aniline
SMILESCCC(C)Nc1ccc(COC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-5-12(4)15-14-8-6-13(7-9-14)10-16-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyWRONOMONKVDIQE-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-ethyl-4-(propan-2-yloxymethyl)aniline
CID 176948818
[4-(butan-2-ylamino)phenyl]methyl acetate;methane;molecular hydrogen
CID 153350084
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine;1-N,4-N-di(butan-2-yl)benzene-1,4-diamine
CID 19805826
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
1-N-butan-2-yl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 21430110
propan-2-yl 4-(butan-2-ylamino)benzoate
CID 43684062
N-propan-2-yl-6-(propan-2-yloxymethyl)naphthalen-2-amine
CID 164783421
O-[N-butan-2-yl-4-(butan-2-ylamino)anilino]hydroxylamine
CID 21339527
N-butan-2-yl-4-propoxyaniline
CID 21311789
[4-(propan-2-yloxymethyl)phenyl]methyl 2-methylbutanoate
CID 70639906

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(propan-2-yloxymethyl)aniline?
The IUPAC name of N-butan-2-yl-4-(propan-2-yloxymethyl)aniline (CID 115919101) is N-butan-2-yl-4-(propan-2-yloxymethyl)aniline.
What is the SMILES notation for N-butan-2-yl-4-(propan-2-yloxymethyl)aniline?
The canonical SMILES for N-butan-2-yl-4-(propan-2-yloxymethyl)aniline is CCC(C)Nc1ccc(COC(C)C)cc1.
What is the InChIKey of N-butan-2-yl-4-(propan-2-yloxymethyl)aniline?
The InChIKey is WRONOMONKVDIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12(4)15-14-8-6-13(7-9-14)10-16-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3.
What are the key properties of N-butan-2-yl-4-(propan-2-yloxymethyl)aniline?
N-butan-2-yl-4-(propan-2-yloxymethyl)aniline has a molecular weight of 221.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(propan-2-yloxymethyl)aniline is sourced from PubChem (CID 115919101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).