2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline

C18H29ClN2 — CID 114849135

IUPAC2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1cc(Cl)ccc1CNC(C)(C)C
InChIInChI=1S/C18H29ClN2/c1-5-10-21(13-14-6-7-14)17-11-16(19)9-8-15(17)12-20-18(2,3)4/h8-9,11,14,20H,5-7,10,12-13H2,1-4H3
InChIKeyDLQRFJQYJGUDOJ-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.85
Rot. Bonds7

About 2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline

2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline (PubChem CID 114849135) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline
PubChem CID114849135
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1cc(Cl)ccc1CNC(C)(C)C
InChIInChI=1S/C18H29ClN2/c1-5-10-21(13-14-6-7-14)17-11-16(19)9-8-15(17)12-20-18(2,3)4/h8-9,11,14,20H,5-7,10,12-13H2,1-4H3
InChIKeyDLQRFJQYJGUDOJ-UHFFFAOYSA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
CID 114849138
2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopentylmethyl)-N-methylaniline
CID 114851335
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-2-methyl-N-propylaniline
CID 63550613
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-pentylaniline
CID 114848078
5-chloro-2-(methylaminomethyl)-N,N-dipropylaniline
CID 114847371
5-chloro-2-(chloromethyl)-N,N-bis(cyclopropylmethyl)aniline
CID 114846715
N-[2-[(tert-butylamino)methyl]-5-chlorophenyl]-N-methyloxan-4-amine
CID 114848548
4-chloro-2-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 63092670
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-3-amine
CID 105073982
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(3,3,3-trifluoropropyl)aniline
CID 114851978
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 114848900
4-chloro-N,N-bis(cyclopropylmethyl)-2-(propylaminomethyl)aniline
CID 114851666

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline (CID 114849135) is 2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline is CCCN(CC1CC1)c1cc(Cl)ccc1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline?
The InChIKey is DLQRFJQYJGUDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-5-10-21(13-14-6-7-14)17-11-16(19)9-8-15(17)12-20-18(2,3)4/h8-9,11,14,20H,5-7,10,12-13H2,1-4H3.
What are the key properties of 2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline?
2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline has a molecular weight of 308.90 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopropylmethyl)-N-propylaniline is sourced from PubChem (CID 114849135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).