N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline

C14H21NO — CID 64918846

IUPACN-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1OC)C1CC1
InChIInChI=1S/C14H21NO/c1-4-12(11-6-7-11)15-13-8-5-10(2)9-14(13)16-3/h5,8-9,11-12,15H,4,6-7H2,1-3H3
InChIKeyKHEISYGVNWJZBA-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.60
Rot. Bonds5

About N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline

N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline (PubChem CID 64918846) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline
PubChem CID64918846
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline
SMILESCCC(Nc1ccc(C)cc1OC)C1CC1
InChIInChI=1S/C14H21NO/c1-4-12(11-6-7-11)15-13-8-5-10(2)9-14(13)16-3/h5,8-9,11-12,15H,4,6-7H2,1-3H3
InChIKeyKHEISYGVNWJZBA-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropyl)-4-fluoro-2-methoxyaniline
CID 64918639
N-(1-cyclopropylpropyl)-3,4-dimethoxyaniline
CID 64919002
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
2-methoxy-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 63451274
N-(1-cyclopropylpropyl)-3-fluoro-4-methoxyaniline
CID 64918809
N-(2,6-dimethylheptan-4-yl)-2-methoxy-4-methylaniline
CID 63451142
N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
CID 63451185
2-chloro-N-(1-cyclopropyl-2-methoxyethyl)-5-methylaniline
CID 115929925
N-(1-cyclopropylpropyl)-2-(trifluoromethoxy)aniline
CID 64920294
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
CID 83058583
N-[1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 64984134
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxy-5-methylaniline
CID 43307758

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline?
The IUPAC name of N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline (CID 64918846) is N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline.
What is the SMILES notation for N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline?
The canonical SMILES for N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline is CCC(Nc1ccc(C)cc1OC)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline?
The InChIKey is KHEISYGVNWJZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-12(11-6-7-11)15-13-8-5-10(2)9-14(13)16-3/h5,8-9,11-12,15H,4,6-7H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline?
N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline has a molecular weight of 219.33 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-2-methoxy-4-methylaniline is sourced from PubChem (CID 64918846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).