4-butyl-N-(1-methoxypropan-2-yl)aniline

C14H23NO — CID 62536026

IUPAC4-butyl-N-(1-methoxypropan-2-yl)aniline
SMILESCCCCc1ccc(NC(C)COC)cc1
InChIInChI=1S/C14H23NO/c1-4-5-6-13-7-9-14(10-8-13)15-12(2)11-16-3/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyFHUGGHVMGBDZTM-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.48
Rot. Bonds7

About 4-butyl-N-(1-methoxypropan-2-yl)aniline

4-butyl-N-(1-methoxypropan-2-yl)aniline (PubChem CID 62536026) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-butyl-N-(1-methoxypropan-2-yl)aniline.

Molecular Properties

Compound Name4-butyl-N-(1-methoxypropan-2-yl)aniline
PubChem CID62536026
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-butyl-N-(1-methoxypropan-2-yl)aniline
SMILESCCCCc1ccc(NC(C)COC)cc1
InChIInChI=1S/C14H23NO/c1-4-5-6-13-7-9-14(10-8-13)15-12(2)11-16-3/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyFHUGGHVMGBDZTM-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-N-(4-butylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
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N-(3-methylpentan-2-yl)-4-pentylaniline
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1-N-(1-methoxypropan-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
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N-(1-methoxypropan-2-yl)-4-propan-2-yloxyaniline
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N-(1-methoxypropan-2-yl)-4-phenylaniline
CID 62536989
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
3-(4-butylanilino)butan-2-one
CID 102224780
4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355
N-heptan-4-yl-4-pentylaniline
CID 63421629
4-butyl-N-(dicyclopropylmethyl)aniline
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1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(1-methoxypropan-2-yl)aniline?
The IUPAC name of 4-butyl-N-(1-methoxypropan-2-yl)aniline (CID 62536026) is 4-butyl-N-(1-methoxypropan-2-yl)aniline.
What is the SMILES notation for 4-butyl-N-(1-methoxypropan-2-yl)aniline?
The canonical SMILES for 4-butyl-N-(1-methoxypropan-2-yl)aniline is CCCCc1ccc(NC(C)COC)cc1.
What is the InChIKey of 4-butyl-N-(1-methoxypropan-2-yl)aniline?
The InChIKey is FHUGGHVMGBDZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-6-13-7-9-14(10-8-13)15-12(2)11-16-3/h7-10,12,15H,4-6,11H2,1-3H3.
What are the key properties of 4-butyl-N-(1-methoxypropan-2-yl)aniline?
4-butyl-N-(1-methoxypropan-2-yl)aniline has a molecular weight of 221.34 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(1-methoxypropan-2-yl)aniline is sourced from PubChem (CID 62536026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).