N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline

C18H23NO — CID 43106859

IUPACN-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline
SMILESCOc1ccccc1C(C)Nc1cccc(C(C)C)c1
InChIInChI=1S/C18H23NO/c1-13(2)15-8-7-9-16(12-15)19-14(3)17-10-5-6-11-18(17)20-4/h5-14,19H,1-4H3
InChIKeyNMPGDZXBZCSNBL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.99
Rot. Bonds5

About N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline

N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline (PubChem CID 43106859) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline
PubChem CID43106859
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline
SMILESCOc1ccccc1C(C)Nc1cccc(C(C)C)c1
InChIInChI=1S/C18H23NO/c1-13(2)15-8-7-9-16(12-15)19-14(3)17-10-5-6-11-18(17)20-4/h5-14,19H,1-4H3
InChIKeyNMPGDZXBZCSNBL-UHFFFAOYSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 43193717
3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline
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4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 107618729
4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline
CID 43192646
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641
ethane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene
CID 178128106
2-[1-(3-propan-2-ylanilino)ethyl]benzene-1,4-diol
CID 43204592
N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240
N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline
CID 43098941
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline (CID 43106859) is N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline is COc1ccccc1C(C)Nc1cccc(C(C)C)c1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline?
The InChIKey is NMPGDZXBZCSNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)15-8-7-9-16(12-15)19-14(3)17-10-5-6-11-18(17)20-4/h5-14,19H,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline?
N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline is sourced from PubChem (CID 43106859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).